InChI=1S/C27H29N5O6S/c1-27(2,3)18-10-12-19(13-11-18)39(34,35)32-23-22(38-21-9-6-5-8-20(21)36-4)26(37-17-16-33)31-25(30-23)24-28-14-7-15-29-24/h5-15,33H,16-17H2,1-4H3,(H,30,31,32)

【InChIKey】

InChIKey=GJPICJJJRGTNOD-UHFFFAOYSA-N

【SMILES】

CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc2c(c(nc(n2)c3ncccn3)OCCO)Oc4ccccc4OC

【MOL File】

BOSENTAN.mol

2Chemical and Physical Properties

【Computed Properties】

H bond donor:2

H bond acceptor:11

XLogP3:3.0

Bulk/Fine:F

3Material Safety Data Sheet(MSDS)

4CML File

BOSENTAN.cml

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147536-97-8 BOSENTAN

1Identification

【Name】

【CAS】

【MDL】

【English Synonyms】

【Formula】

【MolWeight】

【Inchi】