methyl 5-{[(3-chloro-4-fluorophenyl)carbamothioyl]amino}-3H-pyrazole-4-carboxylate
Chemical Structure Depiction of
methyl 5-{[(3-chloro-4-fluorophenyl)carbamothioyl]amino}-3H-pyrazole-4-carboxylate
methyl 5-{[(3-chloro-4-fluorophenyl)carbamothioyl]amino}-3H-pyrazole-4-carboxylate
Compound characteristics
| Compound ID: | K781-0111 |
| Compound Name: | methyl 5-{[(3-chloro-4-fluorophenyl)carbamothioyl]amino}-3H-pyrazole-4-carboxylate |
| Molecular Weight: | 328.75 |
| Molecular Formula: | C12 H10 Cl F N4 O2 S |
| Smiles: | COC(C1CN=NC=1NC(Nc1ccc(c(c1)[Cl])F)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0025 |
| logD: | 2.3262 |
| logSw: | -3.5446 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.601 |
| InChI Key: | PMJGJLIMDTXCPV-UHFFFAOYSA-N |