5-[(3,5-dimethylphenyl)methoxy]-2-{[4-({[rel-(1R,2S,5R)-5-methyl-2-(propan-2-yl)cyclohexyl]oxy}acetyl)piperazin-1-yl]methyl}-4H-pyran-4-one
Chemical Structure Depiction of
5-[(3,5-dimethylphenyl)methoxy]-2-{[4-({[rel-(1R,2S,5R)-5-methyl-2-(propan-2-yl)cyclohexyl]oxy}acetyl)piperazin-1-yl]methyl}-4H-pyran-4-one
5-[(3,5-dimethylphenyl)methoxy]-2-{[4-({[rel-(1R,2S,5R)-5-methyl-2-(propan-2-yl)cyclohexyl]oxy}acetyl)piperazin-1-yl]methyl}-4H-pyran-4-one
Compound characteristics
| Compound ID: | V006-3720 |
| Compound Name: | 5-[(3,5-dimethylphenyl)methoxy]-2-{[4-({[rel-(1R,2S,5R)-5-methyl-2-(propan-2-yl)cyclohexyl]oxy}acetyl)piperazin-1-yl]methyl}-4H-pyran-4-one |
| Molecular Weight: | 524.7 |
| Molecular Formula: | C31 H44 N2 O5 |
| Salt: | not_available |
| Smiles: | CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(N1CCN(CC1)CC1=CC(C(=CO1)OCc1cc(C)cc(C)c1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 5.6433 |
| logD: | 5.6427 |
| logSw: | -5.2276 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 56.96 |
| InChI Key: | ZVAVLUYSUOFGOM-KBKXWFDOSA-N |