methyl {1-[(3-methylphenyl)carbamothioyl]-3-oxopiperazin-2-yl}acetate
Chemical Structure Depiction of
methyl {1-[(3-methylphenyl)carbamothioyl]-3-oxopiperazin-2-yl}acetate
methyl {1-[(3-methylphenyl)carbamothioyl]-3-oxopiperazin-2-yl}acetate
Compound characteristics
| Compound ID: | 6456-0629 |
| Compound Name: | methyl {1-[(3-methylphenyl)carbamothioyl]-3-oxopiperazin-2-yl}acetate |
| Molecular Weight: | 321.4 |
| Molecular Formula: | C15 H19 N3 O3 S |
| Smiles: | Cc1cccc(c1)NC(N1CCNC(C1CC(=O)OC)=O)=S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.5452 |
| logD: | 1.5452 |
| logSw: | -2.3647 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.266 |
| InChI Key: | NLVPATXVFMATLN-LBPRGKRZSA-N |