N-(4-chloro-2,5-dimethoxyphenyl)-3-(hydroxymethyl)piperidine-1-carbothioamide
Chemical Structure Depiction of
N-(4-chloro-2,5-dimethoxyphenyl)-3-(hydroxymethyl)piperidine-1-carbothioamide
N-(4-chloro-2,5-dimethoxyphenyl)-3-(hydroxymethyl)piperidine-1-carbothioamide
Compound characteristics
| Compound ID: | Y600-1185 |
| Compound Name: | N-(4-chloro-2,5-dimethoxyphenyl)-3-(hydroxymethyl)piperidine-1-carbothioamide |
| Molecular Weight: | 344.86 |
| Molecular Formula: | C15 H21 Cl N2 O3 S |
| Smiles: | COc1cc(c(cc1NC(N1CCCC(C1)CO)=S)OC)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1443 |
| logD: | 3.1442 |
| logSw: | -3.3212 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 42.748 |
| InChI Key: | RJHFMBAXEHPOFO-JTQLQIEISA-N |