N-(3-acetylphenyl)-4-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)butanamide
Chemical Structure Depiction of
N-(3-acetylphenyl)-4-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)butanamide
N-(3-acetylphenyl)-4-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)butanamide
Compound characteristics
| Compound ID: | C226-4300 |
| Compound Name: | N-(3-acetylphenyl)-4-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)butanamide |
| Molecular Weight: | 409.24 |
| Molecular Formula: | C16 H17 Br N4 O4 |
| Smiles: | CC(c1cccc(c1)NC(CCCn1c(C)c(c(n1)[N+]([O-])=O)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6789 |
| logD: | 1.6784 |
| logSw: | -2.3486 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.212 |
| InChI Key: | PVXAJYRBTSUJQM-UHFFFAOYSA-N |