ethyl 4-({[2-(4-bromo-1H-pyrazol-1-yl)ethyl]carbamothioyl}amino)benzoate
Chemical Structure Depiction of
ethyl 4-({[2-(4-bromo-1H-pyrazol-1-yl)ethyl]carbamothioyl}amino)benzoate
ethyl 4-({[2-(4-bromo-1H-pyrazol-1-yl)ethyl]carbamothioyl}amino)benzoate
Compound characteristics
| Compound ID: | Y501-5933 |
| Compound Name: | ethyl 4-({[2-(4-bromo-1H-pyrazol-1-yl)ethyl]carbamothioyl}amino)benzoate |
| Molecular Weight: | 397.29 |
| Molecular Formula: | C15 H17 Br N4 O2 S |
| Smiles: | CCOC(c1ccc(cc1)NC(NCCn1cc(cn1)[Br])=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0302 |
| logD: | 3.0302 |
| logSw: | -3.2636 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.734 |
| InChI Key: | BELQYZUTSNWFDE-UHFFFAOYSA-N |