N-[3-tert-butyl-1-(4-methoxyphenyl)-1H-pyrazol-5-yl]-3-chloro-4-fluorobenzamide
Chemical Structure Depiction of
N-[3-tert-butyl-1-(4-methoxyphenyl)-1H-pyrazol-5-yl]-3-chloro-4-fluorobenzamide
N-[3-tert-butyl-1-(4-methoxyphenyl)-1H-pyrazol-5-yl]-3-chloro-4-fluorobenzamide
Compound characteristics
| Compound ID: | V012-1903 |
| Compound Name: | N-[3-tert-butyl-1-(4-methoxyphenyl)-1H-pyrazol-5-yl]-3-chloro-4-fluorobenzamide |
| Molecular Weight: | 401.87 |
| Molecular Formula: | C21 H21 Cl F N3 O2 |
| Salt: | not_available |
| Smiles: | CC(C)(C)c1cc(NC(c2ccc(c(c2)[Cl])F)=O)n(c2ccc(cc2)OC)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.4622 |
| logD: | 5.2631 |
| logSw: | -6.0776 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.308 |
| InChI Key: | CEYPENRECZQTFV-UHFFFAOYSA-N |