N-[3-tert-butyl-1-(2,5-dichlorophenyl)-1H-pyrazol-5-yl]-3-chlorobenzamide
Chemical Structure Depiction of
N-[3-tert-butyl-1-(2,5-dichlorophenyl)-1H-pyrazol-5-yl]-3-chlorobenzamide
N-[3-tert-butyl-1-(2,5-dichlorophenyl)-1H-pyrazol-5-yl]-3-chlorobenzamide
Compound characteristics
| Compound ID: | V012-4099 |
| Compound Name: | N-[3-tert-butyl-1-(2,5-dichlorophenyl)-1H-pyrazol-5-yl]-3-chlorobenzamide |
| Molecular Weight: | 422.74 |
| Molecular Formula: | C20 H18 Cl3 N3 O |
| Smiles: | CC(C)(C)c1cc(NC(c2cccc(c2)[Cl])=O)n(c2cc(ccc2[Cl])[Cl])n1 |
| Stereo: | ACHIRAL |
| logP: | 6.6512 |
| logD: | 5.9028 |
| logSw: | -6.3508 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.464 |
| InChI Key: | JNOAISFKIWKIGM-UHFFFAOYSA-N |