N-[3-(azepan-1-yl)propyl]-2-(4-fluorophenyl)-6,6-dimethyl-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-[3-(azepan-1-yl)propyl]-2-(4-fluorophenyl)-6,6-dimethyl-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide
N-[3-(azepan-1-yl)propyl]-2-(4-fluorophenyl)-6,6-dimethyl-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | L120-0969 |
| Compound Name: | N-[3-(azepan-1-yl)propyl]-2-(4-fluorophenyl)-6,6-dimethyl-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 467.58 |
| Molecular Formula: | C27 H34 F N3 O3 |
| Smiles: | CC1(C)CC2C(=CN(C(C=2C(NCCCN2CCCCCC2)=O)=O)c2ccc(cc2)F)C(C1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7857 |
| logD: | 0.2151 |
| logSw: | -3.1691 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.763 |
| InChI Key: | HYMMYTINBFARNN-UHFFFAOYSA-N |