N-[(3-bromophenyl)carbamothioyl]-1-methyl-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
N-[(3-bromophenyl)carbamothioyl]-1-methyl-1H-pyrazole-3-carboxamide
N-[(3-bromophenyl)carbamothioyl]-1-methyl-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | Y502-7857 |
| Compound Name: | N-[(3-bromophenyl)carbamothioyl]-1-methyl-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 339.21 |
| Molecular Formula: | C12 H11 Br N4 O S |
| Smiles: | Cn1ccc(C(NC(Nc2cccc(c2)[Br])=S)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.542 |
| logD: | 2.5411 |
| logSw: | -3.0273 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 47.932 |
| InChI Key: | ZHEPQCWMXIOZNF-UHFFFAOYSA-N |