methyl 3-{[4-(2-hydroxyethyl)piperazine-1-carbothioyl]amino}thiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-{[4-(2-hydroxyethyl)piperazine-1-carbothioyl]amino}thiophene-2-carboxylate
methyl 3-{[4-(2-hydroxyethyl)piperazine-1-carbothioyl]amino}thiophene-2-carboxylate
Compound characteristics
| Compound ID: | C200-1797 |
| Compound Name: | methyl 3-{[4-(2-hydroxyethyl)piperazine-1-carbothioyl]amino}thiophene-2-carboxylate |
| Molecular Weight: | 329.44 |
| Molecular Formula: | C13 H19 N3 O3 S2 |
| Smiles: | COC(c1c(ccs1)NC(N1CCN(CC1)CCO)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3479 |
| logD: | 0.9947 |
| logSw: | -2.0964 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.077 |
| InChI Key: | NFCRVUCEUSSUHO-UHFFFAOYSA-N |