methyl 3-{[4-(2,5-dimethylphenyl)piperazine-1-carbothioyl]amino}thiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-{[4-(2,5-dimethylphenyl)piperazine-1-carbothioyl]amino}thiophene-2-carboxylate
methyl 3-{[4-(2,5-dimethylphenyl)piperazine-1-carbothioyl]amino}thiophene-2-carboxylate
Compound characteristics
| Compound ID: | C200-1734 |
| Compound Name: | methyl 3-{[4-(2,5-dimethylphenyl)piperazine-1-carbothioyl]amino}thiophene-2-carboxylate |
| Molecular Weight: | 389.54 |
| Molecular Formula: | C19 H23 N3 O2 S2 |
| Smiles: | Cc1ccc(C)c(c1)N1CCN(CC1)C(Nc1ccsc1C(=O)OC)=S |
| Stereo: | ACHIRAL |
| logP: | 4.7813 |
| logD: | 4.7789 |
| logSw: | -4.5433 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 35.59 |
| InChI Key: | BRTJTTYVQVSSDC-UHFFFAOYSA-N |