N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(4-methoxyphenyl)-7,7-dimethyl-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(4-methoxyphenyl)-7,7-dimethyl-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(4-methoxyphenyl)-7,7-dimethyl-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide
Compound characteristics
| Compound ID: | 4781-0150 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(4-methoxyphenyl)-7,7-dimethyl-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide |
| Molecular Weight: | 474.51 |
| Molecular Formula: | C27 H26 N2 O6 |
| Smiles: | CC1(C)CC2=C(C=C(C(NCc3ccc4c(c3)OCO4)=O)C(N2c2ccc(cc2)OC)=O)C(C1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9783 |
| logD: | 2.9783 |
| logSw: | -3.4803 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.652 |
| InChI Key: | HBWUZYMWTFNCIG-UHFFFAOYSA-N |