3-hydroxy-1-(3-methylphenyl)-3-(3-nitrophenyl)-2,3,6,7-tetrahydro-5H-imidazo[2,1-b][1,3]thiazin-1-ium--bromide (1/1)
Chemical Structure Depiction of
3-hydroxy-1-(3-methylphenyl)-3-(3-nitrophenyl)-2,3,6,7-tetrahydro-5H-imidazo[2,1-b][1,3]thiazin-1-ium--bromide (1/1)
3-hydroxy-1-(3-methylphenyl)-3-(3-nitrophenyl)-2,3,6,7-tetrahydro-5H-imidazo[2,1-b][1,3]thiazin-1-ium--bromide (1/1)
Compound characteristics
| Compound ID: | K404-0402 |
| Compound Name: | 3-hydroxy-1-(3-methylphenyl)-3-(3-nitrophenyl)-2,3,6,7-tetrahydro-5H-imidazo[2,1-b][1,3]thiazin-1-ium--bromide (1/1) |
| Molecular Weight: | 450.35 |
| Molecular Formula: | C19 H20 N3 O3 S |
| Salt: | Br- |
| Smiles: | Cc1cccc(c1)[N+]1CC(c2cccc(c2)[N+]([O-])=O)(N2CCCSC=12)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6294 |
| logD: | 4.6294 |
| logSw: | -4.332 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.893 |
| InChI Key: | VNQMESYJNVYSFA-IBGZPJMESA-N |