N-{4-bromo-1-[(4-chlorophenyl)methyl]-1H-pyrazol-3-yl}-4-methylbenzamide
Chemical Structure Depiction of
N-{4-bromo-1-[(4-chlorophenyl)methyl]-1H-pyrazol-3-yl}-4-methylbenzamide
N-{4-bromo-1-[(4-chlorophenyl)methyl]-1H-pyrazol-3-yl}-4-methylbenzamide
Compound characteristics
| Compound ID: | Y200-3074 |
| Compound Name: | N-{4-bromo-1-[(4-chlorophenyl)methyl]-1H-pyrazol-3-yl}-4-methylbenzamide |
| Molecular Weight: | 404.69 |
| Molecular Formula: | C18 H15 Br Cl N3 O |
| Smiles: | Cc1ccc(cc1)C(Nc1c(cn(Cc2ccc(cc2)[Cl])n1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.5519 |
| logD: | 4.3162 |
| logSw: | -4.6203 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.251 |
| InChI Key: | STQHKYZSAUDPHD-UHFFFAOYSA-N |