9-(methoxycarbonyl)-3,7,8-trimethyl-1,5-dihydro-3H-[1,3]dioxepino[5,6-c]pyridin-7-ium--iodide (1/1)
Chemical Structure Depiction of
9-(methoxycarbonyl)-3,7,8-trimethyl-1,5-dihydro-3H-[1,3]dioxepino[5,6-c]pyridin-7-ium--iodide (1/1)
9-(methoxycarbonyl)-3,7,8-trimethyl-1,5-dihydro-3H-[1,3]dioxepino[5,6-c]pyridin-7-ium--iodide (1/1)
Compound characteristics
| Compound ID: | 7404-0007 |
| Compound Name: | 9-(methoxycarbonyl)-3,7,8-trimethyl-1,5-dihydro-3H-[1,3]dioxepino[5,6-c]pyridin-7-ium--iodide (1/1) |
| Molecular Weight: | 379.19 |
| Molecular Formula: | C13 H18 N O4 |
| Salt: | I- |
| Smiles: | CC1OCc2c[n+](C)c(C)c(C(=O)OC)c2CO1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.1978 |
| logD: | 1.1978 |
| logSw: | -1.209 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.289 |
| InChI Key: | QPKNQQYFBAPCHQ-VIFPVBQESA-N |