HIT ID: HIT212021002
Cas No: 686347-12-6
分子式: C25H26Cl3N7O
分子量: 546.88
常用名: Otenabant hydrochloride
氢键受体数 (HBA): 6
氢键供体数 (HBD): 2
LogP: 4.420205
IUPAC: 1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)-9H-purin-6-yl]-4-(ethylamino)piperidine-4-carboxamide hydrochloride
IUPAC: 1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)-9H-purin-6-yl]-4-(ethylamino)piperidine-4-carboxamide hydrochloride
SMILES: Cl.CCNC1(CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1)C(N)=O
SMILES: Cl.CCNC1(CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1)C(N)=O
InChI key: KPYUQCJBZGQHPL-UHFFFAOYSA-N
