(3S,5R)-4-(2-ethylbenzene-1-sulfonyl)-5-(hydroxymethyl)-1,3-dimethylpiperazin-2-one
Chemical Structure Depiction of
(3S,5R)-4-(2-ethylbenzene-1-sulfonyl)-5-(hydroxymethyl)-1,3-dimethylpiperazin-2-one
(3S,5R)-4-(2-ethylbenzene-1-sulfonyl)-5-(hydroxymethyl)-1,3-dimethylpiperazin-2-one
Compound characteristics
| Compound ID: | S973-0088 |
| Compound Name: | (3S,5R)-4-(2-ethylbenzene-1-sulfonyl)-5-(hydroxymethyl)-1,3-dimethylpiperazin-2-one |
| Molecular Weight: | 326.41 |
| Molecular Formula: | C15 H22 N2 O4 S |
| Smiles: | CCc1ccccc1S(N1[C@@H](C)C(N(C)C[C@@H]1CO)=O)(=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.9148 |
| logD: | 0.9148 |
| logSw: | -1.9606 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.374 |
| InChI Key: | GTAPDPVEFRHVLC-WCQYABFASA-N |