HIT ID: HIT212651244
Cas No: 147536-97-8
分子式: C27H29N5O6S
分子量: 551.62
常用名: Bosentan
氢键受体数 (HBA): 9
氢键供体数 (HBD): 2
LogP: 4.167
IUPAC: 4-tert-butyl-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-[2,2'-bipyrimidin]-4-yl]benzene-1-sulfonamide
IUPAC: 4-tert-butyl-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-[2,2'-bipyrimidin]-4-yl]benzene-1-sulfonamide
SMILES: COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(nc1OCCO)-c1ncccn1
SMILES: COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(nc1OCCO)-c1ncccn1
InChI key: GJPICJJJRGTNOD-UHFFFAOYSA-N
