methyl 3-{[4-(2-fluorophenyl)piperazine-1-carbothioyl]amino}thiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-{[4-(2-fluorophenyl)piperazine-1-carbothioyl]amino}thiophene-2-carboxylate
methyl 3-{[4-(2-fluorophenyl)piperazine-1-carbothioyl]amino}thiophene-2-carboxylate
Compound characteristics
| Compound ID: | C200-1791 |
| Compound Name: | methyl 3-{[4-(2-fluorophenyl)piperazine-1-carbothioyl]amino}thiophene-2-carboxylate |
| Molecular Weight: | 379.47 |
| Molecular Formula: | C17 H18 F N3 O2 S2 |
| Smiles: | COC(c1c(ccs1)NC(N1CCN(CC1)c1ccccc1F)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8019 |
| logD: | 3.8016 |
| logSw: | -4.0126 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 35.59 |
| InChI Key: | UJRNQADFEVXROV-UHFFFAOYSA-N |