methyl {1-[(4-chlorophenyl)carbamothioyl]-3-oxopiperazin-2-yl}acetate
Chemical Structure Depiction of
methyl {1-[(4-chlorophenyl)carbamothioyl]-3-oxopiperazin-2-yl}acetate
methyl {1-[(4-chlorophenyl)carbamothioyl]-3-oxopiperazin-2-yl}acetate
Compound characteristics
| Compound ID: | 6456-0628 |
| Compound Name: | methyl {1-[(4-chlorophenyl)carbamothioyl]-3-oxopiperazin-2-yl}acetate |
| Molecular Weight: | 341.81 |
| Molecular Formula: | C14 H16 Cl N3 O3 S |
| Smiles: | COC(CC1C(NCCN1C(Nc1ccc(cc1)[Cl])=S)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.78 |
| logD: | 1.78 |
| logSw: | -2.8052 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.266 |
| InChI Key: | PAJAFJXPYSPZBO-NSHDSACASA-N |