ethyl 4-{[(1-acetylpiperidin-4-yl)(butyl)carbamothioyl]amino}benzoate
Chemical Structure Depiction of
ethyl 4-{[(1-acetylpiperidin-4-yl)(butyl)carbamothioyl]amino}benzoate
ethyl 4-{[(1-acetylpiperidin-4-yl)(butyl)carbamothioyl]amino}benzoate
Compound characteristics
| Compound ID: | K788-4476 |
| Compound Name: | ethyl 4-{[(1-acetylpiperidin-4-yl)(butyl)carbamothioyl]amino}benzoate |
| Molecular Weight: | 405.56 |
| Molecular Formula: | C21 H31 N3 O3 S |
| Smiles: | CCCCN(C1CCN(CC1)C(C)=O)C(Nc1ccc(cc1)C(=O)OCC)=S |
| Stereo: | ACHIRAL |
| logP: | 4.4504 |
| logD: | 4.4504 |
| logSw: | -3.9695 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.872 |
| InChI Key: | FYWSJKSMIHDSJJ-UHFFFAOYSA-N |