ethyl 2-{[2-(4-fluorophenyl)-6,6-dimethyl-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carbonyl]amino}benzoate
Chemical Structure Depiction of
ethyl 2-{[2-(4-fluorophenyl)-6,6-dimethyl-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carbonyl]amino}benzoate
ethyl 2-{[2-(4-fluorophenyl)-6,6-dimethyl-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | L120-0834 |
| Compound Name: | ethyl 2-{[2-(4-fluorophenyl)-6,6-dimethyl-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carbonyl]amino}benzoate |
| Molecular Weight: | 476.5 |
| Molecular Formula: | C27 H25 F N2 O5 |
| Smiles: | CCOC(c1ccccc1NC(C1=C2CC(C)(C)CC(C2=CN(C1=O)c1ccc(cc1)F)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7529 |
| logD: | 1.2994 |
| logSw: | -4.1255 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.341 |
| InChI Key: | WVNCITDSMVYNCC-UHFFFAOYSA-N |