Basic information
- Name:
XL765(SAR245409)
- CAS No.:
1123889-87-1
- Molecular Structure:
- Formula:
- C31H29N5O6S
- Molecular Weight:
- 599.66
- Synonyms:
- XL-765;
- Density:
- 1.387 g/cm3
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Specification
The XL765(SAR245409), with the CAS registry number of 1123889-87-1, is also known as XL-765. This chemical's molecular formula is C31H29N5O6S and molecular weight is 599.6569. What's more, its systematic name is N-[4-[[3-(3, 5-Dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-3-methoxy-4-methyl-benzamide.
Physical properties about XL765(SAR245409) are: (1)ACD/LogP: 5.73; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): 5.62; (4)ACD/LogD (pH 7.4): 4.443; (5)ACD/BCF (pH 5.5): 10359.059; (6)ACD/BCF (pH 7.4): 689.086; (7)ACD/KOC (pH 5.5): 24274.828; (8)ACD/KOC (pH 7.4): 1614.764; (9)#H bond acceptors: 11; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 149.15 Å2; (13)Index of Refraction: 1.674; (14)Molar Refractivity: 162.267 cm3; (15)Molar Volume: 432.309 cm3; (16)Surface Tension: 67.985 dyne/cm; (17)Density: 1.387 g/cm3.
You can still convert the following datas into molecular structure:
(1) SMILES: Cc1ccc(cc1OC)C(=O)Nc2ccc(cc2)S(=O)(=O)Nc3c(nc4ccccc4n3)Nc5cc(cc(c5)OC)OC
(2) InChI: InChI=1/C31H29N5O6S/c1-19-9-10-20(15-28(19)42-4)31(37)33-21-11-13-25(14-12-21)43(38,39)36-30-29(34-26-7-5-6-8-27(26)35-30)32-22-16-23(40-2)18-24(17-22)41-3/h5-18H,1-4H3,(H,32,34)(H,33,37)(H,35,36)
(3) InChIKey: HJSSPYJVWLTYHG-UHFFFAOYAH