HIT ID: HIT212659718
Cas No: 1399177-37-7
分子式: C27H29N5O
分子量: 439.563
常用名: Denifanstat
氢键受体数 (HBA): 4
氢键供体数 (HBD): 1
LogP: 5.241351
IUPAC: 4-{1-[4-cyclobutyl-2-methyl-5-(3-methyl-1H-1,2,4-triazol-5-yl)benzoyl]piperidin-4-yl}benzonitrile
IUPAC: 4-{1-[4-cyclobutyl-2-methyl-5-(3-methyl-1H-1,2,4-triazol-5-yl)benzoyl]piperidin-4-yl}benzonitrile
SMILES: Cc1n[nH]c(n1)-c1cc(C(=O)N2CCC(CC2)c2ccc(cc2)C#N)c(C)cc1C1CCC1
SMILES: Cc1n[nH]c(n1)-c1cc(C(=O)N2CCC(CC2)c2ccc(cc2)C#N)c(C)cc1C1CCC1
InChI key: BBGOSBDSLYHMRA-UHFFFAOYSA-N
