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916767-35-6

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Basic Information
CAS No.: 916767-35-6
Name: NEW ANTITUMOR
Molecular Structure:
Molecular Structure of 916767-35-6 (NEW ANTITUMOR)
Formula: C24H25N7O
Molecular Weight: 427.50
Synonyms: NEW ANTITUMOR;(5-(3-(5-(Piperidin-1-ylmethyl)-1H-indol-2-yl)-1H-indazol-6-yl)-1H-1,2,3-triazol-4-yl)methanol
Density: 1.41 g/cm3
Boiling Point: 813.5 °C at 760 mmHg
Flash Point: 445.8 °C
PSA: 109.51000
LogP: 3.91240
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  • (5-(3-(5-(Piperidin-1-ylmethyl)-1H-indol-2-yl)-1H-indazol-6-yl)-1H-1,2,3-triazol-4-yl)methanol

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    916767-35-6

    (5-(3-(5-(Piperidin-1-ylmethyl)-1H-indol-2-yl)-1H-indazol-6-yl)-1H-1,2,3-triazol-4-yl)methanol

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Specification

The (5-(3-(5-(Piperidin-1-ylmethyl)-1H-indol-2-yl)-1H-indazol-6-yl)-1H-1,2,3-triazol-4-yl)methanol is an organic compound with the formula C24H25N7O. The systematic name of this chemical is [5-[3-[5-(1-piperidylmethyl)-1H-indol-2-yl]-1H-indazol-6-yl]-2H-triazol-4-yl]methanol. With the CAS registry number 916767-35-6, it is also named as 1H-1,2,3-triazole-4-methanol, 5-[3-[5-(1-piperidinylmethyl)-1H-indol-2-yl]-1H-indazol-6-yl]-.

Physical properties about (5-(3-(5-(Piperidin-1-ylmethyl)-1H-indol-2-yl)-1H-indazol-6-yl)-1H-1,2,3-triazol-4-yl)methanol are: (1)ACD/LogP: 2.88; (2)ACD/LogD (pH 7.4): 0.04; (3)#H bond acceptors: 8; (4)#H bond donors: 4; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 109.51 Å2; (7)Index of Refraction: 1.759; (8)Molar Refractivity: 124.68 cm3; (9)Molar Volume: 303 cm3; (10)Polarizability: 49.42×10-24cm3; (11)Surface Tension: 85.2 dyne/cm; (12)Density: 1.41 g/cm3; (13)Flash Point: 445.8 °C; (14)Enthalpy of Vaporization: 123.98 kJ/mol; (15)Boiling Point: 813.5 °C at 760 mmHg; (16)Vapour Pressure: 5.64E-28 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc2c(cc1CN3CCCCC3)cc([nH]2)c4c5ccc(cc5[nH]n4)c6c(n[nH]n6)CO
(2)InChI: InChI=1/C24H25N7O/c32-14-22-23(29-30-27-22)16-5-6-18-20(11-16)26-28-24(18)21-12-17-10-15(4-7-19(17)25-21)13-31-8-2-1-3-9-31/h4-7,10-12,25,32H,1-3,8-9,13-14H2,(H,26,28)(H,27,29,30)
(3)InChIKey: FNWHPLLNMLOZTL-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C24H25N7O/c32-14-22-23(29-30-27-22)16-5-6-18-20(11-16)26-28-24(18)21-12-17-10-15(4-7-19(17)25-21)13-31-8-2-1-3-9-31/h4-7,10-12,25,32H,1-3,8-9,13-14H2,(H,26,28)(H,27,29,30)
(5)Std. InChIKey: FNWHPLLNMLOZTL-UHFFFAOYSA-N