(azepan-1-yl)[4-nitro-5-(propan-2-yl)-1,2-oxazol-3-yl]methanone
Chemical Structure Depiction of
(azepan-1-yl)[4-nitro-5-(propan-2-yl)-1,2-oxazol-3-yl]methanone
(azepan-1-yl)[4-nitro-5-(propan-2-yl)-1,2-oxazol-3-yl]methanone
Compound characteristics
| Compound ID: | C582-0916 |
| Compound Name: | (azepan-1-yl)[4-nitro-5-(propan-2-yl)-1,2-oxazol-3-yl]methanone |
| Molecular Weight: | 281.31 |
| Molecular Formula: | C13 H19 N3 O4 |
| Smiles: | CC(C)c1c(c(C(N2CCCCCC2)=O)no1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.7198 |
| logD: | 2.7198 |
| logSw: | -2.8834 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 72.808 |
| InChI Key: | CQHMEEGBNPAOAD-UHFFFAOYSA-N |