ethyl 4-({[(1-ethyl-1H-pyrazol-4-yl)methyl]carbamothioyl}amino)benzoate
Chemical Structure Depiction of
ethyl 4-({[(1-ethyl-1H-pyrazol-4-yl)methyl]carbamothioyl}amino)benzoate
ethyl 4-({[(1-ethyl-1H-pyrazol-4-yl)methyl]carbamothioyl}amino)benzoate
Compound characteristics
| Compound ID: | Y503-4005 |
| Compound Name: | ethyl 4-({[(1-ethyl-1H-pyrazol-4-yl)methyl]carbamothioyl}amino)benzoate |
| Molecular Weight: | 332.42 |
| Molecular Formula: | C16 H20 N4 O2 S |
| Smiles: | CCn1cc(CNC(Nc2ccc(cc2)C(=O)OCC)=S)cn1 |
| Stereo: | ACHIRAL |
| logP: | 2.3938 |
| logD: | 2.3938 |
| logSw: | -2.7192 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.639 |
| InChI Key: | PIHJUDOYPQTYTR-UHFFFAOYSA-N |