3,3,7,8-tetramethyl-9-[(4-nitrobenzoyl)oxy]-1,5-dihydro-3H-[1,3]dioxepino[5,6-c]pyridin-7-ium--iodide (1/1)
Chemical Structure Depiction of
3,3,7,8-tetramethyl-9-[(4-nitrobenzoyl)oxy]-1,5-dihydro-3H-[1,3]dioxepino[5,6-c]pyridin-7-ium--iodide (1/1)
3,3,7,8-tetramethyl-9-[(4-nitrobenzoyl)oxy]-1,5-dihydro-3H-[1,3]dioxepino[5,6-c]pyridin-7-ium--iodide (1/1)
Compound characteristics
| Compound ID: | 5858-0018 |
| Compound Name: | 3,3,7,8-tetramethyl-9-[(4-nitrobenzoyl)oxy]-1,5-dihydro-3H-[1,3]dioxepino[5,6-c]pyridin-7-ium--iodide (1/1) |
| Molecular Weight: | 500.29 |
| Molecular Formula: | C19 H21 N2 O6 |
| Salt: | I- |
| Smiles: | Cc1c(c2COC(C)(C)OCc2c[n+]1C)OC(c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2178 |
| logD: | 3.2178 |
| logSw: | -3.3851 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 72.643 |
| InChI Key: | FTBMIQNGUUNURB-UHFFFAOYSA-N |