HIT ID: HIT212032785
Cas No: 16506-27-7
分子式: C16H21Cl2N3O2
分子量: 358.26
常用名: Bendamustine
氢键受体数 (HBA): 4
氢键供体数 (HBD): 1
LogP: 1.6649948
IUPAC: 4-{5-[bis(2-chloroethyl)amino]-1-methyl-1H-1,3-benzodiazol-2-yl}butanoic acid
IUPAC: 4-{5-[bis(2-chloroethyl)amino]-1-methyl-1H-1,3-benzodiazol-2-yl}butanoic acid
SMILES: Cn1c(CCCC(O)=O)nc2cc(ccc12)N(CCCl)CCCl
SMILES: Cn1c(CCCC(O)=O)nc2cc(ccc12)N(CCCl)CCCl
InChI key: YTKUWDBFDASYHO-UHFFFAOYSA-N
