methyl (4-{[3-(hydroxymethyl)piperidine-1-carbothioyl]amino}phenyl)acetate
Chemical Structure Depiction of
methyl (4-{[3-(hydroxymethyl)piperidine-1-carbothioyl]amino}phenyl)acetate
methyl (4-{[3-(hydroxymethyl)piperidine-1-carbothioyl]amino}phenyl)acetate
Compound characteristics
| Compound ID: | 6208-0740 |
| Compound Name: | methyl (4-{[3-(hydroxymethyl)piperidine-1-carbothioyl]amino}phenyl)acetate |
| Molecular Weight: | 322.42 |
| Molecular Formula: | C16 H22 N2 O3 S |
| Smiles: | COC(Cc1ccc(cc1)NC(N1CCCC(C1)CO)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1146 |
| logD: | 2.1146 |
| logSw: | -2.7474 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 48.764 |
| InChI Key: | YRKCFMXLOGLBNR-ZDUSSCGKSA-N |