1-(azepan-1-yl)-2-(3-nitro-1H-pyrazol-1-yl)ethan-1-one
Chemical Structure Depiction of
1-(azepan-1-yl)-2-(3-nitro-1H-pyrazol-1-yl)ethan-1-one
1-(azepan-1-yl)-2-(3-nitro-1H-pyrazol-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | 8017-0439 |
| Compound Name: | 1-(azepan-1-yl)-2-(3-nitro-1H-pyrazol-1-yl)ethan-1-one |
| Molecular Weight: | 252.27 |
| Molecular Formula: | C11 H16 N4 O3 |
| Smiles: | C1CCCN(CC1)C(Cn1ccc(n1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.652 |
| logD: | 0.652 |
| logSw: | -1.592 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 64.196 |
| InChI Key: | YHOSZZUTVIYTQY-UHFFFAOYSA-N |