methyl {1-[(2-ethylphenyl)carbamothioyl]-3-oxopiperazin-2-yl}acetate
Chemical Structure Depiction of
methyl {1-[(2-ethylphenyl)carbamothioyl]-3-oxopiperazin-2-yl}acetate
methyl {1-[(2-ethylphenyl)carbamothioyl]-3-oxopiperazin-2-yl}acetate
Compound characteristics
| Compound ID: | 6456-0626 |
| Compound Name: | methyl {1-[(2-ethylphenyl)carbamothioyl]-3-oxopiperazin-2-yl}acetate |
| Molecular Weight: | 335.42 |
| Molecular Formula: | C16 H21 N3 O3 S |
| Smiles: | CCc1ccccc1NC(N1CCNC(C1CC(=O)OC)=O)=S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0284 |
| logD: | 2.0284 |
| logSw: | -2.5527 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.568 |
| InChI Key: | VNIFGWKSPUGNSS-ZDUSSCGKSA-N |