N-(4-bromo-2-methylphenyl)-4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamide
Chemical Structure Depiction of
N-(4-bromo-2-methylphenyl)-4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamide
N-(4-bromo-2-methylphenyl)-4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamide
Compound characteristics
| Compound ID: | 8016-7280 |
| Compound Name: | N-(4-bromo-2-methylphenyl)-4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamide |
| Molecular Weight: | 395.25 |
| Molecular Formula: | C16 H19 Br N4 O3 |
| Smiles: | Cc1cc(ccc1NC(CCCn1c(C)c(c(C)n1)[N+]([O-])=O)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 2.2487 |
| logD: | 2.2476 |
| logSw: | -2.8813 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.73 |
| InChI Key: | LQIDSNMNXNSWEL-UHFFFAOYSA-N |