N-{2-[cyclohexyl(methyl)amino]ethyl}-6,6-dimethyl-3,8-dioxo-2-phenyl-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-{2-[cyclohexyl(methyl)amino]ethyl}-6,6-dimethyl-3,8-dioxo-2-phenyl-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide
N-{2-[cyclohexyl(methyl)amino]ethyl}-6,6-dimethyl-3,8-dioxo-2-phenyl-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | L120-1380 |
| Compound Name: | N-{2-[cyclohexyl(methyl)amino]ethyl}-6,6-dimethyl-3,8-dioxo-2-phenyl-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 449.59 |
| Molecular Formula: | C27 H35 N3 O3 |
| Smiles: | CC1(C)CC2C(=CN(C(C=2C(NCCN(C)C2CCCCC2)=O)=O)c2ccccc2)C(C1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7576 |
| logD: | 0.9154 |
| logSw: | -3.0604 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.487 |
| InChI Key: | PCQGSPMMUCKBPY-UHFFFAOYSA-N |