N-[(2-bromophenyl)carbamothioyl]-1-ethyl-1H-pyrazole-4-carboxamide
Chemical Structure Depiction of
N-[(2-bromophenyl)carbamothioyl]-1-ethyl-1H-pyrazole-4-carboxamide
N-[(2-bromophenyl)carbamothioyl]-1-ethyl-1H-pyrazole-4-carboxamide
Compound characteristics
| Compound ID: | Y500-9724 |
| Compound Name: | N-[(2-bromophenyl)carbamothioyl]-1-ethyl-1H-pyrazole-4-carboxamide |
| Molecular Weight: | 353.24 |
| Molecular Formula: | C13 H13 Br N4 O S |
| Smiles: | CCn1cc(cn1)C(NC(Nc1ccccc1[Br])=S)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5855 |
| logD: | 2.5834 |
| logSw: | -2.9084 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 47.044 |
| InChI Key: | NOMMKVDVOTVMKH-UHFFFAOYSA-N |