ethyl 4-{[(4-chloro-1,3-dimethyl-1H-pyrazole-5-carbonyl)carbamothioyl]amino}benzoate
Chemical Structure Depiction of
ethyl 4-{[(4-chloro-1,3-dimethyl-1H-pyrazole-5-carbonyl)carbamothioyl]amino}benzoate
ethyl 4-{[(4-chloro-1,3-dimethyl-1H-pyrazole-5-carbonyl)carbamothioyl]amino}benzoate
Compound characteristics
| Compound ID: | Y500-9749 |
| Compound Name: | ethyl 4-{[(4-chloro-1,3-dimethyl-1H-pyrazole-5-carbonyl)carbamothioyl]amino}benzoate |
| Molecular Weight: | 380.85 |
| Molecular Formula: | C16 H17 Cl N4 O3 S |
| Smiles: | CCOC(c1ccc(cc1)NC(NC(c1c(c(C)nn1C)[Cl])=O)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1973 |
| logD: | 3.1932 |
| logSw: | -3.9967 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.862 |
| InChI Key: | ZSSCCBXOZUYQRJ-UHFFFAOYSA-N |