N-(5-bromo-2-hydroxyphenyl)-4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)butanamide
Chemical Structure Depiction of
N-(5-bromo-2-hydroxyphenyl)-4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)butanamide
N-(5-bromo-2-hydroxyphenyl)-4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)butanamide
Compound characteristics
| Compound ID: | C163-0009 |
| Compound Name: | N-(5-bromo-2-hydroxyphenyl)-4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)butanamide |
| Molecular Weight: | 417.64 |
| Molecular Formula: | C14 H14 Br Cl N4 O4 |
| Smiles: | Cc1c(c(nn1CCCC(Nc1cc(ccc1O)[Br])=O)[N+]([O-])=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.0607 |
| logD: | 2.0548 |
| logSw: | -3.0761 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.236 |
| InChI Key: | NGTIZFJHKJTDKF-UHFFFAOYSA-N |