4-(azepane-1-carbonyl)-6,6-dimethyl-2-(4-methylphenyl)-6,7-dihydroisoquinoline-3,8(2H,5H)-dione
Chemical Structure Depiction of
4-(azepane-1-carbonyl)-6,6-dimethyl-2-(4-methylphenyl)-6,7-dihydroisoquinoline-3,8(2H,5H)-dione
4-(azepane-1-carbonyl)-6,6-dimethyl-2-(4-methylphenyl)-6,7-dihydroisoquinoline-3,8(2H,5H)-dione
Compound characteristics
| Compound ID: | L120-1015 |
| Compound Name: | 4-(azepane-1-carbonyl)-6,6-dimethyl-2-(4-methylphenyl)-6,7-dihydroisoquinoline-3,8(2H,5H)-dione |
| Molecular Weight: | 406.52 |
| Molecular Formula: | C25 H30 N2 O3 |
| Smiles: | Cc1ccc(cc1)N1C=C2C(CC(C)(C)CC2=O)=C(C(N2CCCCCC2)=O)C1=O |
| Stereo: | ACHIRAL |
| logP: | 3.4644 |
| logD: | 3.4644 |
| logSw: | -3.5102 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.174 |
| InChI Key: | HSSGJHCEDLRBRY-UHFFFAOYSA-N |