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CAS No.: | 1044136-93-7 |
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Name: | Benzamide,4-(4-methyl-1-piperazinyl)-N-[1,4,5,6-tetrahydro-5-(2-methoxy-2-phenylacetyl)pyrrolo[3,4-c]pyrazol-3-yl]- |
Molecular Structure: | |
Formula: | C26H30N6O3 |
Molecular Weight: | 474.563 |
Synonyms: | 4-(4-Methyl-1-piperazinyl)-N-[1,4,5,6-tetrahydro-5-(2-methoxy-2-phenylacetyl)pyrrolo[3,4-c]pyrazol-3-yl]benzamide;(R)-N-(5-(2-methoxy-2-phenylacetyl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-yl)-4-(4-methylpiperazin-1-yl)benzamide; |
Density: | 1.322 g/cm3 |
Boiling Point: | 664.149 °C at 760 mmHg |
Flash Point: | 355.465 °C |
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The CAS register number of 4-(4-Methyl-1-piperazinyl)-N-[1,4,5,6-tetrahydro-5-(2-methoxy-2-phenylacetyl)pyrrolo[3,4-c]pyrazol-3-yl]benzamide is 1044136-93-7. It also can be called as (R)-N-(5-(2-methoxy-2-phenylacetyl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-yl)-4-(4-methylpiperazin-1-yl)benzamide and the systematic name about this chemical is N-{5-[methoxy(phenyl)acetyl]-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-yl}-4-(4-methylpiperazin-1-yl)benzamide. The molecular formula about this chemical is C26H30N6O3 and the molecular weight is 474.55.
Physical properties about 4-(4-Methyl-1-piperazinyl)-N-[1,4,5,6-tetrahydro-5-(2-methoxy-2-phenylacetyl)pyrrolo[3,4-c]pyrazol-3-yl]benzamide are: (1)ACD/LogP: 1.02; (2)ACD/LogD (pH 7.4): 1; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 2; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 50; (7)#H bond acceptors: 9; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 93.8Å2; (11)Index of Refraction: 1.663; (12)Molar Refractivity: 133.035 cm3; (13)Molar Volume: 358.896 cm3; (14)Polarizability: 52.739x10-24cm3; (15)Surface Tension: 65.375 dyne/cm; (16)Enthalpy of Vaporization: 97.677 kJ/mol; (17)Boiling Point: 664.149 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: CN1CCN(CC1)c2ccc(cc2)C(=O)Nc4nnc3CN(Cc34)C(=O)C(OC)c5ccccc5
(2)InChI: InChI=1/C26H30N6O3/c1-30-12-14-31(15-13-30)20-10-8-19(9-11-20)25(33)27-24-21-16-32(17-22(21)28-29-24)26(34)23(35-2)18-6-4-3-5-7-18/h3-11,23H,12-17H2,1-2H3,(H2,27,28,29,33)
(3)InChIKey: XKFTZKGMDDZMJI-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C26H30N6O3/c1-30-12-14-31(15-13-30)20-10-8-19(9-11-20)25(33)27-24-21-16-32(17-22(21)28-29-24)26(34)23(35-2)18-6-4-3-5-7-18/h3-11,23H,12-17H2,1-2H3,(H2,27,28,29,33)
(5)Std. InChIKey: XKFTZKGMDDZMJI-UHFFFAOYSA-N