ethyl 1-[(4-chloro-2-methylphenyl)carbamothioyl]piperidine-4-carboxylate
Chemical Structure Depiction of
ethyl 1-[(4-chloro-2-methylphenyl)carbamothioyl]piperidine-4-carboxylate
ethyl 1-[(4-chloro-2-methylphenyl)carbamothioyl]piperidine-4-carboxylate
Compound characteristics
Compound ID: | Y600-0970 |
Compound Name: | ethyl 1-[(4-chloro-2-methylphenyl)carbamothioyl]piperidine-4-carboxylate |
Molecular Weight: | 340.87 |
Molecular Formula: | C16 H21 Cl N2 O2 S |
Smiles: | CCOC(C1CCN(CC1)C(Nc1ccc(cc1C)[Cl])=S)=O |
Stereo: | ACHIRAL |
logP: | 4.343 |
logD: | 4.343 |
logSw: | -4.4923 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 31.1926 |
InChI Key: | ZSDGGKVBLRDUTK-UHFFFAOYSA-N |