N-[(2-bromo-4-methylphenyl)carbamothioyl]-4-chloro-1-ethyl-1H-pyrazole-5-carboxamide
Chemical Structure Depiction of
N-[(2-bromo-4-methylphenyl)carbamothioyl]-4-chloro-1-ethyl-1H-pyrazole-5-carboxamide
N-[(2-bromo-4-methylphenyl)carbamothioyl]-4-chloro-1-ethyl-1H-pyrazole-5-carboxamide
Compound characteristics
| Compound ID: | Y509-0815 |
| Compound Name: | N-[(2-bromo-4-methylphenyl)carbamothioyl]-4-chloro-1-ethyl-1H-pyrazole-5-carboxamide |
| Molecular Weight: | 401.71 |
| Molecular Formula: | C14 H14 Br Cl N4 O S |
| Smiles: | CCn1c(C(NC(Nc2ccc(C)cc2[Br])=S)=O)c(cn1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.0004 |
| logD: | 3.9553 |
| logSw: | -4.276 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 45.496 |
| InChI Key: | FPJJGGHJPSCGNV-UHFFFAOYSA-N |