methyl {1-[(3,5-dimethylphenyl)carbamothioyl]-3-oxopiperazin-2-yl}acetate
Chemical Structure Depiction of
methyl {1-[(3,5-dimethylphenyl)carbamothioyl]-3-oxopiperazin-2-yl}acetate
methyl {1-[(3,5-dimethylphenyl)carbamothioyl]-3-oxopiperazin-2-yl}acetate
Compound characteristics
| Compound ID: | Y020-7072 |
| Compound Name: | methyl {1-[(3,5-dimethylphenyl)carbamothioyl]-3-oxopiperazin-2-yl}acetate |
| Molecular Weight: | 335.42 |
| Molecular Formula: | C16 H21 N3 O3 S |
| Smiles: | Cc1cc(C)cc(c1)NC(N1CCNC(C1CC(=O)OC)=O)=S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8782 |
| logD: | 1.8782 |
| logSw: | -2.6426 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.266 |
| InChI Key: | DURYEHOTEOOFNS-ZDUSSCGKSA-N |