HIT ID: HIT218847372
Cas No: 2781918-35-0
分子式: C22H22BrClF2N4OS
分子量: 543.86
常用名: 3-bromo-N-[(3S,4S)-4-(3,4-difluorophenyl)piperidin-3-yl]-11-thia-5,6-diazatricyclo[8.3.0.0^{2,6}]trideca-1(10),2,4,12-tetraene-12-carboxamide hydrochloride
常用名: 3-bromo-N-[(3S,4S)-4-(3,4-difluorophenyl)piperidin-3-yl]-11-thia-5,6-diazatricyclo[8.3.0.0^{2,6}]trideca-1(10),2,4,12-tetraene-12-carboxamide hydrochloride
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 3-bromo-N-[(3S,4S)-4-(3,4-difluorophenyl)piperidin-3-yl]-11-thia-5,6-diazatricyclo[8.3.0.0^{2,6}]trideca-1(10),2,4,12-tetraene-12-carboxamide hydrochloride
IUPAC: 3-bromo-N-[(3S,4S)-4-(3,4-difluorophenyl)piperidin-3-yl]-11-thia-5,6-diazatricyclo[8.3.0.0^{2,6}]trideca-1(10),2,4,12-tetraene-12-carboxamide hydrochloride
SMILES: Cl.Fc1ccc(cc1F)[C@@H]1CCNC[C@H]1NC(=O)c1cc-2c(CCCn3ncc(Br)c-23)s1
SMILES: Cl.Fc1ccc(cc1F)[C@@H]1CCNC[C@H]1NC(=O)c1cc-2c(CCCn3ncc(Br)c-23)s1
InChI key: CQNZXVADOZFBKD-UFRBEDTPSA-N
