3-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]-N-cyclooctylbenzamide
Chemical Structure Depiction of
3-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]-N-cyclooctylbenzamide
3-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]-N-cyclooctylbenzamide
Compound characteristics
| Compound ID: | Y501-1286 |
| Compound Name: | 3-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]-N-cyclooctylbenzamide |
| Molecular Weight: | 435.32 |
| Molecular Formula: | C19 H23 Br N4 O3 |
| Smiles: | C1CCCC(CCC1)NC(c1cccc(Cn2cc(c(n2)[N+]([O-])=O)[Br])c1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2617 |
| logD: | 4.2617 |
| logSw: | -4.227 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.304 |
| InChI Key: | IFOCLCBPJGWYQF-UHFFFAOYSA-N |