3-bromo-N-{5-methyl-1-[4-(propan-2-yl)phenyl]-1H-pyrazol-3-yl}benzamide
Chemical Structure Depiction of
3-bromo-N-{5-methyl-1-[4-(propan-2-yl)phenyl]-1H-pyrazol-3-yl}benzamide
3-bromo-N-{5-methyl-1-[4-(propan-2-yl)phenyl]-1H-pyrazol-3-yl}benzamide
Compound characteristics
| Compound ID: | V012-3313 |
| Compound Name: | 3-bromo-N-{5-methyl-1-[4-(propan-2-yl)phenyl]-1H-pyrazol-3-yl}benzamide |
| Molecular Weight: | 398.3 |
| Molecular Formula: | C20 H20 Br N3 O |
| Smiles: | CC(C)c1ccc(cc1)n1c(C)cc(NC(c2cccc(c2)[Br])=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.8271 |
| logD: | 5.7983 |
| logSw: | -5.5692 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.962 |
| InChI Key: | GTSBJJRKDOOFOG-UHFFFAOYSA-N |