3-(iodomethyl)-1-(4-methylbenzene-1-sulfonyl)-2,3-dihydro-1H-pyrido[1,2,3-de]quinoxalin-4-ium--iodide (1/1)
Chemical Structure Depiction of
3-(iodomethyl)-1-(4-methylbenzene-1-sulfonyl)-2,3-dihydro-1H-pyrido[1,2,3-de]quinoxalin-4-ium--iodide (1/1)
3-(iodomethyl)-1-(4-methylbenzene-1-sulfonyl)-2,3-dihydro-1H-pyrido[1,2,3-de]quinoxalin-4-ium--iodide (1/1)
Compound characteristics
| Compound ID: | 8010-9301 |
| Compound Name: | 3-(iodomethyl)-1-(4-methylbenzene-1-sulfonyl)-2,3-dihydro-1H-pyrido[1,2,3-de]quinoxalin-4-ium--iodide (1/1) |
| Molecular Weight: | 592.24 |
| Molecular Formula: | C19 H18 I N2 O2 S |
| Salt: | I- |
| Smiles: | Cc1ccc(cc1)S(N1CC(CI)[n+]2cccc3cccc1c23)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1693 |
| logD: | 4.1693 |
| logSw: | -4.0816 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 32.326 |
| InChI Key: | ZVUCOYWNZGRFEK-UHFFFAOYSA-N |