3,3,8-trimethyl-1,5-dihydro-3H-[1,3]dioxepino[5,6-c]pyridin-9-yl 4-nitrobenzoate
Chemical Structure Depiction of
3,3,8-trimethyl-1,5-dihydro-3H-[1,3]dioxepino[5,6-c]pyridin-9-yl 4-nitrobenzoate
3,3,8-trimethyl-1,5-dihydro-3H-[1,3]dioxepino[5,6-c]pyridin-9-yl 4-nitrobenzoate
Compound characteristics
| Compound ID: | 5858-0015 |
| Compound Name: | 3,3,8-trimethyl-1,5-dihydro-3H-[1,3]dioxepino[5,6-c]pyridin-9-yl 4-nitrobenzoate |
| Molecular Weight: | 358.35 |
| Molecular Formula: | C18 H18 N2 O6 |
| Smiles: | Cc1c(c2COC(C)(C)OCc2cn1)OC(c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.171 |
| logD: | 3.171 |
| logSw: | -3.3011 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 80.319 |
| InChI Key: | FBUCNFYRNZPJRX-UHFFFAOYSA-N |