4-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-[2-(methylsulfanyl)phenyl]butanamide
Chemical Structure Depiction of
4-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-[2-(methylsulfanyl)phenyl]butanamide
4-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-[2-(methylsulfanyl)phenyl]butanamide
Compound characteristics
| Compound ID: | C226-4291 |
| Compound Name: | 4-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-[2-(methylsulfanyl)phenyl]butanamide |
| Molecular Weight: | 413.29 |
| Molecular Formula: | C15 H17 Br N4 O3 S |
| Smiles: | Cc1c(c(nn1CCCC(Nc1ccccc1SC)=O)[N+]([O-])=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 1.9936 |
| logD: | 1.9936 |
| logSw: | -2.4625 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.688 |
| InChI Key: | TVDHWKFXFFTIQD-UHFFFAOYSA-N |