HIT ID: HIT214323601
Cas No: 2581243-32-3
分子式: C25H24BrN5O2S
分子量: 538.46
常用名: BCAT-IN-1
氢键受体数 (HBA): 4
氢键供体数 (HBD): 2
LogP: 4.069
IUPAC: 1-[3-(5-bromothiophene-2-amido)cyclohexyl]-N-methyl-2-(pyridin-2-yl)-1H-1,3-benzodiazole-5-carboxamide
IUPAC: 1-[3-(5-bromothiophene-2-amido)cyclohexyl]-N-methyl-2-(pyridin-2-yl)-1H-1,3-benzodiazole-5-carboxamide
SMILES: CNC(=O)c1ccc2n(C3CCCC(C3)NC(=O)c3ccc(Br)s3)c(nc2c1)-c1ccccn1
SMILES: CNC(=O)c1ccc2n(C3CCCC(C3)NC(=O)c3ccc(Br)s3)c(nc2c1)-c1ccccn1
InChI key: PGSKODUPOMCUEJ-UHFFFAOYSA-N
