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XL765

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Name

XL765

EINECS N/A
CAS No. 1123889-87-1 Density 1.387 g/cm3
PSA 152.38000 LogP 6.40940
Solubility N/A Melting Point N/A
Formula C31H29N5O6S Boiling Point N/A
Molecular Weight 599.66 Flash Point N/A
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 1123889-87-1 (XL-765,SAR245409) Hazard Symbols N/A
Synonyms

XL-765;

Article Data 1

XL765 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

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