HIT ID: HIT212651995
Cas No: 2099719-47-6
分子式: C23H23Cl2N5O3
分子量: 488.37
常用名: Betrixaban hydrochloride(330942-05-7(free base))
常用名: Betrixaban hydrochloride(330942-05-7(free base))
氢键受体数 (HBA): 6
氢键供体数 (HBD): 3
LogP: 3.0280569
IUPAC: N-(5-chloropyridin-2-yl)-2-[4-(N,N-dimethylcarbamimidoyl)benzamido]-5-methoxybenzamide hydrochloride
IUPAC: N-(5-chloropyridin-2-yl)-2-[4-(N,N-dimethylcarbamimidoyl)benzamido]-5-methoxybenzamide hydrochloride
SMILES: Cl.COc1ccc(NC(=O)c2ccc(cc2)C(=N)N(C)C)c(c1)C(=O)Nc1ccc(Cl)cn1
SMILES: Cl.COc1ccc(NC(=O)c2ccc(cc2)C(=N)N(C)C)c(c1)C(=O)Nc1ccc(Cl)cn1
InChI key: ZLQLCRUMXURJFC-NBFRYIKDSA-N
