(azepan-1-yl)(1-methyl-4-nitro-1H-pyrazol-5-yl)methanone
Chemical Structure Depiction of
(azepan-1-yl)(1-methyl-4-nitro-1H-pyrazol-5-yl)methanone
(azepan-1-yl)(1-methyl-4-nitro-1H-pyrazol-5-yl)methanone
Compound characteristics
| Compound ID: | Y508-3542 |
| Compound Name: | (azepan-1-yl)(1-methyl-4-nitro-1H-pyrazol-5-yl)methanone |
| Molecular Weight: | 252.27 |
| Molecular Formula: | C11 H16 N4 O3 |
| Smiles: | Cn1c(C(N2CCCCCC2)=O)c(cn1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.1051 |
| logD: | 1.1051 |
| logSw: | -1.4668 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 63.814 |
| InChI Key: | DHLJGINGBDZWKM-UHFFFAOYSA-N |