HIT ID: HIT212671435
Cas No: 253688-60-7
分子式: C27H29N5O7S
分子量: 567.62
常用名: Hydroxy bosentan
氢键受体数 (HBA): 10
氢键供体数 (HBD): 3
LogP: 3.6811087
IUPAC: 4-(1-hydroxy-2-methylpropan-2-yl)-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-[2,2'-bipyrimidin]-4-yl]benzene-1-sulfonamide
IUPAC: 4-(1-hydroxy-2-methylpropan-2-yl)-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)CO)nc(nc1OCCO)-c1ncccn1
SMILES: COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)CO)nc(nc1OCCO)-c1ncccn1
InChI key: FAJQMBCLPZWTQJ-UHFFFAOYSA-N
