methyl 3-{[4-(3-methoxyphenyl)piperazine-1-carbothioyl]amino}thiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-{[4-(3-methoxyphenyl)piperazine-1-carbothioyl]amino}thiophene-2-carboxylate
methyl 3-{[4-(3-methoxyphenyl)piperazine-1-carbothioyl]amino}thiophene-2-carboxylate
Compound characteristics
| Compound ID: | C200-1725 |
| Compound Name: | methyl 3-{[4-(3-methoxyphenyl)piperazine-1-carbothioyl]amino}thiophene-2-carboxylate |
| Molecular Weight: | 391.51 |
| Molecular Formula: | C18 H21 N3 O3 S2 |
| Smiles: | COC(c1c(ccs1)NC(N1CCN(CC1)c1cccc(c1)OC)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7314 |
| logD: | 3.7289 |
| logSw: | -4.0318 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.435 |
| InChI Key: | IQXPCJNCRZBRNG-UHFFFAOYSA-N |