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| CAS No.: | 896466-76-5 |
|---|---|
| Name: | AT9283 |
| Molecular Structure: | |
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| Formula: | C19H23N7O2 |
| Molecular Weight: | 381.4316 |
| Synonyms: | AT-9283 |
| EINECS: | 604-604-1 |
| Density: | 1.45g/cm3 |
| PSA: | 168.49000 |
| LogP: | 1.92270 |
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- Total:24 Page 1 of 1 1
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Specification
The AT-9283, with CAS registry number 896466-76-5, has the systematic name of 1-cyclopropyl-3-[3-[5-(morpholinomethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea. And the chemical formula of this chemical is C19H23N7O2.
Physical properties of AT-9283: (1)ACD/LogP: 0.68; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0.63; (4)#H bond acceptors: 9; (5)#H bond donors: 4; (6)#Freely Rotating Bonds: 5; (7)Polar Surface Area: 110.96 Å2; (8)Index of Refraction: 1.714; (9)Molar Refractivity: 103.06 cm3; (10)Molar Volume: 262.4 cm3; (11)Polarizability: 40.85×10-24cm3; (12)Surface Tension: 86.5 dyne/cm.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cc2c(cc1CN3CCOCC3)nc([nH]2)c4c(c[nH]n4)NC(=O)NC5CC5
(2)InChI: InChI=1/C19H23N7O2/c27-19(21-13-2-3-13)24-16-10-20-25-17(16)18-22-14-4-1-12(9-15(14)23-18)11-26-5-7-28-8-6-26/h1,4,9-10,13H,2-3,5-8,11H2,(H,20,25)(H,22,23)(H2,21,24,27)
(3)InChIKey: LOLPPWBBNUVNQZ-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C19H23N7O2/c27-19(21-13-2-3-13)24-16-10-20-25-17(16)18-22-14-4-1-12(9-15(14)23-18)11-26-5-7-28-8-6-26/h1,4,9-10,13H,2-3,5-8,11H2,(H,20,25)(H,22,23)(H2,21,24,27)
(5)Std. InChIKey: LOLPPWBBNUVNQZ-UHFFFAOYSA-N