(3S,5S)-1,3-dimethyl-4-(oxane-4-carbonyl)-5-(phenoxymethyl)piperazin-2-one
Chemical Structure Depiction of
(3S,5S)-1,3-dimethyl-4-(oxane-4-carbonyl)-5-(phenoxymethyl)piperazin-2-one
(3S,5S)-1,3-dimethyl-4-(oxane-4-carbonyl)-5-(phenoxymethyl)piperazin-2-one
Compound characteristics
| Compound ID: | S972-0587 |
| Compound Name: | (3S,5S)-1,3-dimethyl-4-(oxane-4-carbonyl)-5-(phenoxymethyl)piperazin-2-one |
| Molecular Weight: | 346.43 |
| Molecular Formula: | C19 H26 N2 O4 |
| Smiles: | C[C@H]1C(N(C)C[C@@H](COc2ccccc2)N1C(C1CCOCC1)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.4146 |
| logD: | 1.4146 |
| logSw: | -1.6236 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.97 |
| InChI Key: | BEJQYPGIIHIKIM-GOEBONIOSA-N |