HIT ID: HIT212034203
Cas No: 123040-16-4
分子式: C17H21Cl2N3O3
分子量: 386.27
常用名: Azasetron hydrochloride
氢键受体数 (HBA): 4
氢键供体数 (HBD): 1
LogP: 0.67269003
IUPAC: N-{1-azabicyclo[2.2.2]octan-3-yl}-6-chloro-4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide hydrochloride
IUPAC: N-{1-azabicyclo[2.2.2]octan-3-yl}-6-chloro-4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide hydrochloride
SMILES: Cl.CN1C(=O)COc2c1cc(Cl)cc2C(=O)NC1CN2CCC1CC2
SMILES: Cl.CN1C(=O)COc2c1cc(Cl)cc2C(=O)NC1CN2CCC1CC2
InChI key: DBMKBKPJYAHLQP-UHFFFAOYSA-N
