N-[(2H-1,3-benzodioxol-5-yl)methyl]-7,7-dimethyl-1-(4-methylphenyl)-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-7,7-dimethyl-1-(4-methylphenyl)-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-7,7-dimethyl-1-(4-methylphenyl)-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide
Compound characteristics
| Compound ID: | 4781-0141 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-7,7-dimethyl-1-(4-methylphenyl)-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide |
| Molecular Weight: | 458.51 |
| Molecular Formula: | C27 H26 N2 O5 |
| Smiles: | Cc1ccc(cc1)N1C2CC(C)(C)CC(C=2C=C(C(NCc2ccc3c(c2)OCO3)=O)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4193 |
| logD: | 3.4193 |
| logSw: | -3.6442 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.109 |
| InChI Key: | KWHPAMLPMIFELF-UHFFFAOYSA-N |