ethyl 4-({[3-(1H-imidazol-1-yl)propyl]carbamothioyl}amino)benzoate
Chemical Structure Depiction of
ethyl 4-({[3-(1H-imidazol-1-yl)propyl]carbamothioyl}amino)benzoate
ethyl 4-({[3-(1H-imidazol-1-yl)propyl]carbamothioyl}amino)benzoate
Compound characteristics
| Compound ID: | C270-0352 |
| Compound Name: | ethyl 4-({[3-(1H-imidazol-1-yl)propyl]carbamothioyl}amino)benzoate |
| Molecular Weight: | 332.42 |
| Molecular Formula: | C16 H20 N4 O2 S |
| Smiles: | CCOC(c1ccc(cc1)NC(NCCCn1ccnc1)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1841 |
| logD: | 1.9422 |
| logSw: | -2.6698 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.779 |
| InChI Key: | SPJWAMXRKWZOQJ-UHFFFAOYSA-N |