(azepan-1-yl)(1,5-dimethyl-4-nitro-1H-pyrazol-3-yl)methanone
Chemical Structure Depiction of
(azepan-1-yl)(1,5-dimethyl-4-nitro-1H-pyrazol-3-yl)methanone
(azepan-1-yl)(1,5-dimethyl-4-nitro-1H-pyrazol-3-yl)methanone
Compound characteristics
| Compound ID: | Y500-2156 |
| Compound Name: | (azepan-1-yl)(1,5-dimethyl-4-nitro-1H-pyrazol-3-yl)methanone |
| Molecular Weight: | 266.3 |
| Molecular Formula: | C12 H18 N4 O3 |
| Smiles: | Cc1c(c(C(N2CCCCCC2)=O)nn1C)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.3356 |
| logD: | 1.3356 |
| logSw: | -1.3356 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 65.03 |
| InChI Key: | YFFVFFCOVUVIOJ-UHFFFAOYSA-N |