methyl 4-{[(4-chloro-1-ethyl-1H-pyrazole-5-carbonyl)carbamothioyl]amino}benzoate
Chemical Structure Depiction of
methyl 4-{[(4-chloro-1-ethyl-1H-pyrazole-5-carbonyl)carbamothioyl]amino}benzoate
methyl 4-{[(4-chloro-1-ethyl-1H-pyrazole-5-carbonyl)carbamothioyl]amino}benzoate
Compound characteristics
| Compound ID: | Y501-0118 |
| Compound Name: | methyl 4-{[(4-chloro-1-ethyl-1H-pyrazole-5-carbonyl)carbamothioyl]amino}benzoate |
| Molecular Weight: | 366.82 |
| Molecular Formula: | C15 H15 Cl N4 O3 S |
| Smiles: | CCn1c(C(NC(Nc2ccc(cc2)C(=O)OC)=S)=O)c(cn1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.0685 |
| logD: | 3.0625 |
| logSw: | -3.7166 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.368 |
| InChI Key: | CXPZMOIAERLNGX-UHFFFAOYSA-N |