ethyl 4-({[2-(4-chloro-1H-pyrazol-1-yl)ethyl]carbamothioyl}amino)benzoate
Chemical Structure Depiction of
ethyl 4-({[2-(4-chloro-1H-pyrazol-1-yl)ethyl]carbamothioyl}amino)benzoate
ethyl 4-({[2-(4-chloro-1H-pyrazol-1-yl)ethyl]carbamothioyl}amino)benzoate
Compound characteristics
| Compound ID: | Y501-5935 |
| Compound Name: | ethyl 4-({[2-(4-chloro-1H-pyrazol-1-yl)ethyl]carbamothioyl}amino)benzoate |
| Molecular Weight: | 352.84 |
| Molecular Formula: | C15 H17 Cl N4 O2 S |
| Smiles: | CCOC(c1ccc(cc1)NC(NCCn1cc(cn1)[Cl])=S)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8524 |
| logD: | 2.8524 |
| logSw: | -3.6632 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.734 |
| InChI Key: | RKPBYYCVZDMBEF-UHFFFAOYSA-N |