1-(azepan-1-yl)-3-(4-nitro-1H-pyrazol-1-yl)propan-1-one
Chemical Structure Depiction of
1-(azepan-1-yl)-3-(4-nitro-1H-pyrazol-1-yl)propan-1-one
1-(azepan-1-yl)-3-(4-nitro-1H-pyrazol-1-yl)propan-1-one
Compound characteristics
| Compound ID: | Y500-1898 |
| Compound Name: | 1-(azepan-1-yl)-3-(4-nitro-1H-pyrazol-1-yl)propan-1-one |
| Molecular Weight: | 266.3 |
| Molecular Formula: | C12 H18 N4 O3 |
| Smiles: | C1CCCN(CC1)C(CCn1cc(cn1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0448 |
| logD: | 1.0448 |
| logSw: | -1.2619 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 64.827 |
| InChI Key: | JVEUPLVMJWMGIA-UHFFFAOYSA-N |