methyl 3-[(4-phenylpiperazine-1-carbothioyl)amino]thiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-[(4-phenylpiperazine-1-carbothioyl)amino]thiophene-2-carboxylate
methyl 3-[(4-phenylpiperazine-1-carbothioyl)amino]thiophene-2-carboxylate
Compound characteristics
| Compound ID: | C200-1736 |
| Compound Name: | methyl 3-[(4-phenylpiperazine-1-carbothioyl)amino]thiophene-2-carboxylate |
| Molecular Weight: | 361.48 |
| Molecular Formula: | C17 H19 N3 O2 S2 |
| Smiles: | COC(c1c(ccs1)NC(N1CCN(CC1)c1ccccc1)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6234 |
| logD: | 3.6212 |
| logSw: | -3.7813 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 35.891 |
| InChI Key: | KGVMWBRHTBYQEK-UHFFFAOYSA-N |