N-(2-bromo-4,6-difluorophenyl)-4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamide
Chemical Structure Depiction of
N-(2-bromo-4,6-difluorophenyl)-4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamide
N-(2-bromo-4,6-difluorophenyl)-4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamide
Compound characteristics
| Compound ID: | C163-0268 |
| Compound Name: | N-(2-bromo-4,6-difluorophenyl)-4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamide |
| Molecular Weight: | 417.21 |
| Molecular Formula: | C15 H15 Br F2 N4 O3 |
| Smiles: | Cc1c(c(C)n(CCCC(Nc2c(cc(cc2[Br])F)F)=O)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.8558 |
| logD: | 1.5499 |
| logSw: | -2.4692 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.032 |
| InChI Key: | IQEOBNYKHWMQLQ-UHFFFAOYSA-N |