3-hydroxy-1-(4-methoxyphenyl)-3-(4-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-(4-methoxyphenyl)-3-(4-nitrophenyl)-2,3,6,7-tetrahydro-5H-imidazo[2,1-b][1,3]thiazin-1-ium--bromide (1/1)
3-hydroxy-1-(4-methoxyphenyl)-3-(4-nitrophenyl)-2,3,6,7-tetrahydro-5H-imidazo[2,1-b][1,3]thiazin-1-ium--bromide (1/1)
Compound characteristics
| Compound ID: | K404-0276 |
| Compound Name: | 3-hydroxy-1-(4-methoxyphenyl)-3-(4-nitrophenyl)-2,3,6,7-tetrahydro-5H-imidazo[2,1-b][1,3]thiazin-1-ium--bromide (1/1) |
| Molecular Weight: | 466.35 |
| Molecular Formula: | C19 H20 N3 O4 S |
| Salt: | Br- |
| Smiles: | COc1ccc(cc1)[N+]1CC(c2ccc(cc2)[N+]([O-])=O)(N2CCCSC=12)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1497 |
| logD: | 4.1497 |
| logSw: | -4.0516 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.437 |
| InChI Key: | OEMWYSRVGVLHOJ-IBGZPJMESA-N |