ethyl 1-[(3-chloro-2-methylphenyl)carbamothioyl]piperidine-4-carboxylate
Chemical Structure Depiction of
ethyl 1-[(3-chloro-2-methylphenyl)carbamothioyl]piperidine-4-carboxylate
ethyl 1-[(3-chloro-2-methylphenyl)carbamothioyl]piperidine-4-carboxylate
Compound characteristics
| Compound ID: | Y600-0969 |
| Compound Name: | ethyl 1-[(3-chloro-2-methylphenyl)carbamothioyl]piperidine-4-carboxylate |
| Molecular Weight: | 340.87 |
| Molecular Formula: | C16 H21 Cl N2 O2 S |
| Smiles: | CCOC(C1CCN(CC1)C(Nc1cccc(c1C)[Cl])=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2896 |
| logD: | 4.2896 |
| logSw: | -4.3411 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 31.1926 |
| InChI Key: | DKOLZOODYVHORQ-UHFFFAOYSA-N |