N-(5-bromo-2-hydroxyphenyl)-4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamide
Chemical Structure Depiction of
N-(5-bromo-2-hydroxyphenyl)-4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamide
N-(5-bromo-2-hydroxyphenyl)-4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamide
Compound characteristics
| Compound ID: | C163-0122 |
| Compound Name: | N-(5-bromo-2-hydroxyphenyl)-4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamide |
| Molecular Weight: | 383.2 |
| Molecular Formula: | C14 H15 Br N4 O4 |
| Smiles: | Cc1cc(nn1CCCC(Nc1cc(ccc1O)[Br])=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.3433 |
| logD: | 1.3374 |
| logSw: | -2.2289 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.99 |
| InChI Key: | VKCNWHSODZPDQW-UHFFFAOYSA-N |