3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-hydroxy-1-(2-methylphenyl)-2,3,6,7-tetrahydro-5H-imidazo[2,1-b][1,3]thiazin-1-ium--bromide (1/1)
Chemical Structure Depiction of
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-hydroxy-1-(2-methylphenyl)-2,3,6,7-tetrahydro-5H-imidazo[2,1-b][1,3]thiazin-1-ium--bromide (1/1)
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-hydroxy-1-(2-methylphenyl)-2,3,6,7-tetrahydro-5H-imidazo[2,1-b][1,3]thiazin-1-ium--bromide (1/1)
Compound characteristics
| Compound ID: | K404-0374 |
| Compound Name: | 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-hydroxy-1-(2-methylphenyl)-2,3,6,7-tetrahydro-5H-imidazo[2,1-b][1,3]thiazin-1-ium--bromide (1/1) |
| Molecular Weight: | 463.39 |
| Molecular Formula: | C21 H23 N2 O3 S |
| Salt: | Br- |
| Smiles: | Cc1ccccc1[N+]1CC(c2ccc3c(c2)OCCO3)(N2CCCSC=12)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6368 |
| logD: | 3.6368 |
| logSw: | -3.8495 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.034 |
| InChI Key: | YKCIJODVIITZBI-NRFANRHFSA-N |