9-(methoxycarbonyl)-3,3,7,8-tetramethyl-1,5-dihydro-3H-[1,3]dioxepino[5,6-c]pyridin-7-ium--iodide (1/1)
Chemical Structure Depiction of
9-(methoxycarbonyl)-3,3,7,8-tetramethyl-1,5-dihydro-3H-[1,3]dioxepino[5,6-c]pyridin-7-ium--iodide (1/1)
9-(methoxycarbonyl)-3,3,7,8-tetramethyl-1,5-dihydro-3H-[1,3]dioxepino[5,6-c]pyridin-7-ium--iodide (1/1)
Compound characteristics
Compound ID: | 7404-0008 |
Compound Name: | 9-(methoxycarbonyl)-3,3,7,8-tetramethyl-1,5-dihydro-3H-[1,3]dioxepino[5,6-c]pyridin-7-ium--iodide (1/1) |
Molecular Weight: | 393.22 |
Molecular Formula: | C14 H20 N O4 |
Salt: | I- |
Smiles: | Cc1c(C(=O)OC)c2COC(C)(C)OCc2c[n+]1C |
Stereo: | ACHIRAL |
logP: | 1.9466 |
logD: | 1.9466 |
logSw: | -1.7555 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 39.884 |
InChI Key: | CUHONNFNBNLTDL-UHFFFAOYSA-N |