(3S,5S)-4-(2-ethoxybenzoyl)-5-(hydroxymethyl)-1,3-dimethylpiperazin-2-one
Chemical Structure Depiction of
(3S,5S)-4-(2-ethoxybenzoyl)-5-(hydroxymethyl)-1,3-dimethylpiperazin-2-one
(3S,5S)-4-(2-ethoxybenzoyl)-5-(hydroxymethyl)-1,3-dimethylpiperazin-2-one
Compound characteristics
| Compound ID: | S972-0002 |
| Compound Name: | (3S,5S)-4-(2-ethoxybenzoyl)-5-(hydroxymethyl)-1,3-dimethylpiperazin-2-one |
| Molecular Weight: | 306.36 |
| Molecular Formula: | C16 H22 N2 O4 |
| Smiles: | CCOc1ccccc1C(N1[C@@H](CN(C)C([C@@H]1C)=O)CO)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.3449 |
| logD: | 0.3449 |
| logSw: | -2.1519 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.967 |
| InChI Key: | DYZQIDMDHVCNJB-NWDGAFQWSA-N |