methyl 3-[(4-methylpiperazine-1-carbothioyl)amino]thiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-[(4-methylpiperazine-1-carbothioyl)amino]thiophene-2-carboxylate
methyl 3-[(4-methylpiperazine-1-carbothioyl)amino]thiophene-2-carboxylate
Compound characteristics
| Compound ID: | C200-1729 |
| Compound Name: | methyl 3-[(4-methylpiperazine-1-carbothioyl)amino]thiophene-2-carboxylate |
| Molecular Weight: | 299.41 |
| Molecular Formula: | C12 H17 N3 O2 S2 |
| Smiles: | CN1CCN(CC1)C(Nc1ccsc1C(=O)OC)=S |
| Stereo: | ACHIRAL |
| logP: | 1.8062 |
| logD: | 0.874 |
| logSw: | -2.4012 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.108 |
| InChI Key: | KVTMOIARQDEZSL-UHFFFAOYSA-N |