N-{2-[cyclohexyl(methyl)amino]ethyl}-2-(4-fluorophenyl)-6,6-dimethyl-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-{2-[cyclohexyl(methyl)amino]ethyl}-2-(4-fluorophenyl)-6,6-dimethyl-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide
N-{2-[cyclohexyl(methyl)amino]ethyl}-2-(4-fluorophenyl)-6,6-dimethyl-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | L120-0931 |
| Compound Name: | N-{2-[cyclohexyl(methyl)amino]ethyl}-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(NCCN(C)C2CCCCC2)=O)=O)c2ccc(cc2)F)C(C1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9082 |
| logD: | 1.066 |
| logSw: | -3.2457 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.487 |
| InChI Key: | XFFBWAKHBVYCNN-UHFFFAOYSA-N |