3-[4-(difluoromethoxy)phenyl]-3-hydroxy-1-(2-methylphenyl)-2,3,6,7-tetrahydro-5H-imidazo[2,1-b][1,3]thiazin-1-ium
Chemical Structure Depiction of
3-[4-(difluoromethoxy)phenyl]-3-hydroxy-1-(2-methylphenyl)-2,3,6,7-tetrahydro-5H-imidazo[2,1-b][1,3]thiazin-1-ium
3-[4-(difluoromethoxy)phenyl]-3-hydroxy-1-(2-methylphenyl)-2,3,6,7-tetrahydro-5H-imidazo[2,1-b][1,3]thiazin-1-ium
Compound characteristics
| Compound ID: | K404-0368 |
| Compound Name: | 3-[4-(difluoromethoxy)phenyl]-3-hydroxy-1-(2-methylphenyl)-2,3,6,7-tetrahydro-5H-imidazo[2,1-b][1,3]thiazin-1-ium |
| Molecular Weight: | 471.36 |
| Molecular Formula: | C20 H21 F2 N2 O2 S |
| Salt: | Br- |
| Smiles: | Cc1ccccc1[N+]1CC(c2ccc(cc2)OC(F)F)(N2CCCSC=12)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.686 |
| logD: | 4.686 |
| logSw: | -4.1957 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 29.8154 |
| InChI Key: | PRWYSFWWHSEJLL-FQEVSTJZSA-N |