1-(4-chlorophenyl)-3-hydroxy-3-(4-methoxyphenyl)-2,3,6,7-tetrahydro-5H-imidazo[2,1-b][1,3]thiazin-1-ium--bromide (1/1)
Chemical Structure Depiction of
1-(4-chlorophenyl)-3-hydroxy-3-(4-methoxyphenyl)-2,3,6,7-tetrahydro-5H-imidazo[2,1-b][1,3]thiazin-1-ium--bromide (1/1)
1-(4-chlorophenyl)-3-hydroxy-3-(4-methoxyphenyl)-2,3,6,7-tetrahydro-5H-imidazo[2,1-b][1,3]thiazin-1-ium--bromide (1/1)
Compound characteristics
| Compound ID: | K404-0334 |
| Compound Name: | 1-(4-chlorophenyl)-3-hydroxy-3-(4-methoxyphenyl)-2,3,6,7-tetrahydro-5H-imidazo[2,1-b][1,3]thiazin-1-ium--bromide (1/1) |
| Molecular Weight: | 455.8 |
| Molecular Formula: | C19 H20 Cl N2 O2 S |
| Salt: | Br- |
| Smiles: | COc1ccc(cc1)C1(C[N+](=C2N1CCCS2)c1ccc(cc1)[Cl])O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8188 |
| logD: | 4.8188 |
| logSw: | -4.7373 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 31.0551 |
| InChI Key: | WEDIZHLJZFDESA-IBGZPJMESA-N |