methyl 3-[(4-benzylpiperidine-1-carbothioyl)amino]thiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-[(4-benzylpiperidine-1-carbothioyl)amino]thiophene-2-carboxylate
methyl 3-[(4-benzylpiperidine-1-carbothioyl)amino]thiophene-2-carboxylate
Compound characteristics
| Compound ID: | C200-1731 |
| Compound Name: | methyl 3-[(4-benzylpiperidine-1-carbothioyl)amino]thiophene-2-carboxylate |
| Molecular Weight: | 374.52 |
| Molecular Formula: | C19 H22 N2 O2 S2 |
| Smiles: | COC(c1c(ccs1)NC(N1CCC(CC1)Cc1ccccc1)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9589 |
| logD: | 4.9588 |
| logSw: | -4.6953 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 32.36 |
| InChI Key: | DGXBAUFLFGEAOB-UHFFFAOYSA-N |