HIT ID: HIT212713152
Cas No: 132031-81-3
分子式: C26H35N3O5
分子量: 469.582
常用名: NP-252
氢键受体数 (HBA): 5
氢键供体数 (HBD): 2
LogP: 4.4207387
IUPAC: octyl 5-(cyclopropylcarbamoyl)-2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carboxylate
IUPAC: octyl 5-(cyclopropylcarbamoyl)-2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carboxylate
SMILES: CCCCCCCCOC(=O)C1=C(C)NC(C)=C(C1c1ccccc1[N+]([O-])=O)C(=O)NC1CC1 |c:11,16|
SMILES: CCCCCCCCOC(=O)C1=C(C)NC(C)=C(C1c1ccccc1[N+]([O-])=O)C(=O)NC1CC1 |c:11,16|
InChI key: IAWVGADTHVEXRD-UHFFFAOYSA-N