N-(5-bromo-2-hydroxyphenyl)-4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamide
Chemical Structure Depiction of
N-(5-bromo-2-hydroxyphenyl)-4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamide
N-(5-bromo-2-hydroxyphenyl)-4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamide
Compound characteristics
| Compound ID: | C163-0235 |
| Compound Name: | N-(5-bromo-2-hydroxyphenyl)-4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamide |
| Molecular Weight: | 397.23 |
| Molecular Formula: | C15 H17 Br N4 O4 |
| Smiles: | Cc1c(c(C)n(CCCC(Nc2cc(ccc2O)[Br])=O)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.6025 |
| logD: | 1.5965 |
| logSw: | -2.2253 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.278 |
| InChI Key: | PCDTYGOWMUBRTE-UHFFFAOYSA-N |