N-[1-(4-bromophenyl)-3-tert-butyl-1H-pyrazol-5-yl]-3-chloro-2-fluorobenzamide
Chemical Structure Depiction of
N-[1-(4-bromophenyl)-3-tert-butyl-1H-pyrazol-5-yl]-3-chloro-2-fluorobenzamide
N-[1-(4-bromophenyl)-3-tert-butyl-1H-pyrazol-5-yl]-3-chloro-2-fluorobenzamide
Compound characteristics
| Compound ID: | V012-1902 |
| Compound Name: | N-[1-(4-bromophenyl)-3-tert-butyl-1H-pyrazol-5-yl]-3-chloro-2-fluorobenzamide |
| Molecular Weight: | 450.74 |
| Molecular Formula: | C20 H18 Br Cl F N3 O |
| Smiles: | CC(C)(C)c1cc(NC(c2cccc(c2F)[Cl])=O)n(c2ccc(cc2)[Br])n1 |
| Stereo: | ACHIRAL |
| logP: | 6.526 |
| logD: | 6.3269 |
| logSw: | -6.2038 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.765 |
| InChI Key: | YKNWYFFBHZLIQH-UHFFFAOYSA-N |