N-({(2R,6S)-4,6-dimethyl-1-[(3-methylphenyl)methyl]-5-oxopiperazin-2-yl}methyl)oxane-4-carboxamide
Chemical Structure Depiction of
N-({(2R,6S)-4,6-dimethyl-1-[(3-methylphenyl)methyl]-5-oxopiperazin-2-yl}methyl)oxane-4-carboxamide
N-({(2R,6S)-4,6-dimethyl-1-[(3-methylphenyl)methyl]-5-oxopiperazin-2-yl}methyl)oxane-4-carboxamide
Compound characteristics
| Compound ID: | S925-0054 |
| Compound Name: | N-({(2R,6S)-4,6-dimethyl-1-[(3-methylphenyl)methyl]-5-oxopiperazin-2-yl}methyl)oxane-4-carboxamide |
| Molecular Weight: | 373.49 |
| Molecular Formula: | C21 H31 N3 O3 |
| Smiles: | Cc1cccc(CN2[C@@H](C)C(N(C)C[C@H]2CNC(C2CCOCC2)=O)=O)c1 |
| Stereo: | ABSOLUTE |
| logP: | 1.8828 |
| logD: | 1.8494 |
| logSw: | -2.3261 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.572 |
| InChI Key: | IIYXTTCRRSCKEY-LPHOPBHVSA-N |