methyl 3-({4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioyl}amino)thiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-({4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioyl}amino)thiophene-2-carboxylate
methyl 3-({4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioyl}amino)thiophene-2-carboxylate
Compound characteristics
| Compound ID: | C200-1733 |
| Compound Name: | methyl 3-({4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioyl}amino)thiophene-2-carboxylate |
| Molecular Weight: | 429.48 |
| Molecular Formula: | C18 H18 F3 N3 O2 S2 |
| Smiles: | COC(c1c(ccs1)NC(N1CCN(CC1)c1cccc(c1)C(F)(F)F)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4241 |
| logD: | 4.4236 |
| logSw: | -4.2805 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 35.891 |
| InChI Key: | XAWLMLQJYBTRTC-UHFFFAOYSA-N |