ethyl 4-{[(4-chloro-1-ethyl-1H-pyrazole-5-carbonyl)carbamothioyl]amino}benzoate
Chemical Structure Depiction of
ethyl 4-{[(4-chloro-1-ethyl-1H-pyrazole-5-carbonyl)carbamothioyl]amino}benzoate
ethyl 4-{[(4-chloro-1-ethyl-1H-pyrazole-5-carbonyl)carbamothioyl]amino}benzoate
Compound characteristics
| Compound ID: | Y500-9734 |
| Compound Name: | ethyl 4-{[(4-chloro-1-ethyl-1H-pyrazole-5-carbonyl)carbamothioyl]amino}benzoate |
| Molecular Weight: | 380.85 |
| Molecular Formula: | C16 H17 Cl N4 O3 S |
| Smiles: | CCn1c(C(NC(Nc2ccc(cc2)C(=O)OCC)=S)=O)c(cn1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.5792 |
| logD: | 3.5732 |
| logSw: | -4.0058 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.948 |
| InChI Key: | CCALJYYMCVUYQH-UHFFFAOYSA-N |