N-[(2H-1,3-benzodioxol-5-yl)methyl]-6,6-dimethyl-3,8-dioxo-2-phenyl-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-6,6-dimethyl-3,8-dioxo-2-phenyl-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-6,6-dimethyl-3,8-dioxo-2-phenyl-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | L120-1313 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-6,6-dimethyl-3,8-dioxo-2-phenyl-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 444.49 |
| Molecular Formula: | C26 H24 N2 O5 |
| Smiles: | CC1(C)CC2C(=CN(C(C=2C(NCc2ccc3c(c2)OCO3)=O)=O)c2ccccc2)C(C1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7498 |
| logD: | 2.7497 |
| logSw: | -3.2915 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.723 |
| InChI Key: | VRDZMZZIIOUZOU-UHFFFAOYSA-N |