HIT ID: HIT212718790
Cas No: 59946-73-5
分子式: C28H26ClN3O3
分子量: 487.98
常用名: YC 170
氢键受体数 (HBA): 4
氢键供体数 (HBD): 2
LogP: 4.359915
IUPAC: 2-(pyridin-2-yl)ethyl 4-(2-chlorophenyl)-2,6-dimethyl-5-(phenylcarbamoyl)-1,4-dihydropyridine-3-carboxylate
IUPAC: 2-(pyridin-2-yl)ethyl 4-(2-chlorophenyl)-2,6-dimethyl-5-(phenylcarbamoyl)-1,4-dihydropyridine-3-carboxylate
SMILES: CC1=C(C(C(C(=O)OCCc2ccccn2)=C(C)N1)c1ccccc1Cl)C(=O)Nc1ccccc1 |t:1,16|
SMILES: CC1=C(C(C(C(=O)OCCc2ccccn2)=C(C)N1)c1ccccc1Cl)C(=O)Nc1ccccc1 |t:1,16|
InChI key: YGKDFWHVQNDMLG-UHFFFAOYSA-N