N-[(2H-1,3-benzodioxol-5-yl)methyl]-2,5-dioxo-1-[4-(propan-2-yl)phenyl]-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2,5-dioxo-1-[4-(propan-2-yl)phenyl]-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2,5-dioxo-1-[4-(propan-2-yl)phenyl]-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide
Compound characteristics
| Compound ID: | L372-0582 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2,5-dioxo-1-[4-(propan-2-yl)phenyl]-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide |
| Molecular Weight: | 458.51 |
| Molecular Formula: | C27 H26 N2 O5 |
| Smiles: | CC(C)c1ccc(cc1)N1C2CCCC(C=2C=C(C(NCc2ccc3c(c2)OCO3)=O)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7091 |
| logD: | 3.7091 |
| logSw: | -3.9487 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.109 |
| InChI Key: | BNFWIIMNKWHMGV-UHFFFAOYSA-N |