methyl (3-oxo-1-{[3-(trifluoromethyl)phenyl]carbamothioyl}piperazin-2-yl)acetate
Chemical Structure Depiction of
methyl (3-oxo-1-{[3-(trifluoromethyl)phenyl]carbamothioyl}piperazin-2-yl)acetate
methyl (3-oxo-1-{[3-(trifluoromethyl)phenyl]carbamothioyl}piperazin-2-yl)acetate
Compound characteristics
| Compound ID: | Y020-7073 |
| Compound Name: | methyl (3-oxo-1-{[3-(trifluoromethyl)phenyl]carbamothioyl}piperazin-2-yl)acetate |
| Molecular Weight: | 375.37 |
| Molecular Formula: | C15 H16 F3 N3 O3 S |
| Smiles: | COC(CC1C(NCCN1C(Nc1cccc(c1)C(F)(F)F)=S)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2285 |
| logD: | 2.2285 |
| logSw: | -3.0233 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.266 |
| InChI Key: | CEUHVRSFVDVMMK-NSHDSACASA-N |