ethyl 4-[(3-cyanopiperidine-1-carbothioyl)amino]benzoate
Chemical Structure Depiction of
ethyl 4-[(3-cyanopiperidine-1-carbothioyl)amino]benzoate
ethyl 4-[(3-cyanopiperidine-1-carbothioyl)amino]benzoate
Compound characteristics
| Compound ID: | 8017-0901 |
| Compound Name: | ethyl 4-[(3-cyanopiperidine-1-carbothioyl)amino]benzoate |
| Molecular Weight: | 317.41 |
| Molecular Formula: | C16 H19 N3 O2 S |
| Smiles: | CCOC(c1ccc(cc1)NC(N1CCCC(C1)C#N)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.12 |
| logD: | 3.12 |
| logSw: | -3.3045 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.88 |
| InChI Key: | HDXWFQQVRHLVBA-GFCCVEGCSA-N |