N-[(2-bromo-4-methylphenyl)carbamothioyl]-1-ethyl-1H-pyrazole-4-carboxamide
Chemical Structure Depiction of
N-[(2-bromo-4-methylphenyl)carbamothioyl]-1-ethyl-1H-pyrazole-4-carboxamide
N-[(2-bromo-4-methylphenyl)carbamothioyl]-1-ethyl-1H-pyrazole-4-carboxamide
Compound characteristics
| Compound ID: | Y500-9709 |
| Compound Name: | N-[(2-bromo-4-methylphenyl)carbamothioyl]-1-ethyl-1H-pyrazole-4-carboxamide |
| Molecular Weight: | 367.26 |
| Molecular Formula: | C14 H15 Br N4 O S |
| Smiles: | CCn1cc(cn1)C(NC(Nc1ccc(C)cc1[Br])=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1042 |
| logD: | 3.102 |
| logSw: | -3.1568 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 47.044 |
| InChI Key: | FWPLBTGRHVQHRZ-UHFFFAOYSA-N |