methyl 3-{[4-(3-chlorophenyl)piperazine-1-carbothioyl]amino}thiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-{[4-(3-chlorophenyl)piperazine-1-carbothioyl]amino}thiophene-2-carboxylate
methyl 3-{[4-(3-chlorophenyl)piperazine-1-carbothioyl]amino}thiophene-2-carboxylate
Compound characteristics
| Compound ID: | C200-1790 |
| Compound Name: | methyl 3-{[4-(3-chlorophenyl)piperazine-1-carbothioyl]amino}thiophene-2-carboxylate |
| Molecular Weight: | 395.93 |
| Molecular Formula: | C17 H18 Cl N3 O2 S2 |
| Smiles: | COC(c1c(ccs1)NC(N1CCN(CC1)c1cccc(c1)[Cl])=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.207 |
| logD: | 4.2067 |
| logSw: | -4.4185 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 35.891 |
| InChI Key: | IPDFDUSZFWUPBM-UHFFFAOYSA-N |