3-(3,4-dimethoxyphenyl)-3-hydroxy-1-phenyl-2,3,6,7-tetrahydro-5H-imidazo[2,1-b][1,3]thiazin-1-ium--bromide (1/1)
Chemical Structure Depiction of
3-(3,4-dimethoxyphenyl)-3-hydroxy-1-phenyl-2,3,6,7-tetrahydro-5H-imidazo[2,1-b][1,3]thiazin-1-ium--bromide (1/1)
3-(3,4-dimethoxyphenyl)-3-hydroxy-1-phenyl-2,3,6,7-tetrahydro-5H-imidazo[2,1-b][1,3]thiazin-1-ium--bromide (1/1)
Compound characteristics
| Compound ID: | K404-0033 |
| Compound Name: | 3-(3,4-dimethoxyphenyl)-3-hydroxy-1-phenyl-2,3,6,7-tetrahydro-5H-imidazo[2,1-b][1,3]thiazin-1-ium--bromide (1/1) |
| Molecular Weight: | 451.38 |
| Molecular Formula: | C20 H23 N2 O3 S |
| Salt: | Br- |
| Smiles: | COc1ccc(cc1OC)C1(C[N+](=C2N1CCCS2)c1ccccc1)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7185 |
| logD: | 3.7185 |
| logSw: | -3.965 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.772 |
| InChI Key: | KHGWKLJOCHPIIP-FQEVSTJZSA-N |