ethyl 4-({[2-(dimethylamino)ethyl][1-(pyridin-4-yl)ethyl]carbamothioyl}amino)benzoate
Chemical Structure Depiction of
ethyl 4-({[2-(dimethylamino)ethyl][1-(pyridin-4-yl)ethyl]carbamothioyl}amino)benzoate
ethyl 4-({[2-(dimethylamino)ethyl][1-(pyridin-4-yl)ethyl]carbamothioyl}amino)benzoate
Compound characteristics
| Compound ID: | K788-1567 |
| Compound Name: | ethyl 4-({[2-(dimethylamino)ethyl][1-(pyridin-4-yl)ethyl]carbamothioyl}amino)benzoate |
| Molecular Weight: | 400.54 |
| Molecular Formula: | C21 H28 N4 O2 S |
| Smiles: | CCOC(c1ccc(cc1)NC(N(CCN(C)C)C(C)c1ccncc1)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7269 |
| logD: | 1.5055 |
| logSw: | -3.8198 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.089 |
| InChI Key: | DWLSOWMGPHYQCF-INIZCTEOSA-N |