2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-{3-[5-methyl-2-(propan-2-yl)phenoxy]-5-nitrophenyl}acetamide
Chemical Structure Depiction of
2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-{3-[5-methyl-2-(propan-2-yl)phenoxy]-5-nitrophenyl}acetamide
2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-{3-[5-methyl-2-(propan-2-yl)phenoxy]-5-nitrophenyl}acetamide
Compound characteristics
| Compound ID: | 8004-8854 |
| Compound Name: | 2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-{3-[5-methyl-2-(propan-2-yl)phenoxy]-5-nitrophenyl}acetamide |
| Molecular Weight: | 532.35 |
| Molecular Formula: | C22 H22 Br N5 O6 |
| Smiles: | CC(C)c1ccc(C)cc1Oc1cc(cc(c1)[N+]([O-])=O)NC(Cn1c(C)c(c(n1)[N+]([O-])=O)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 5.5225 |
| logD: | 5.5213 |
| logSw: | -5.2659 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 110.623 |
| InChI Key: | GVTXOALWAZECAX-UHFFFAOYSA-N |