1-(2,5-dimethoxyphenyl)-3-(4-ethylphenyl)-3-hydroxy-2,3,6,7-tetrahydro-5H-imidazo[2,1-b][1,3]thiazin-1-ium--bromide (1/1)
Chemical Structure Depiction of
1-(2,5-dimethoxyphenyl)-3-(4-ethylphenyl)-3-hydroxy-2,3,6,7-tetrahydro-5H-imidazo[2,1-b][1,3]thiazin-1-ium--bromide (1/1)
1-(2,5-dimethoxyphenyl)-3-(4-ethylphenyl)-3-hydroxy-2,3,6,7-tetrahydro-5H-imidazo[2,1-b][1,3]thiazin-1-ium--bromide (1/1)
Compound characteristics
| Compound ID: | K404-0210 |
| Compound Name: | 1-(2,5-dimethoxyphenyl)-3-(4-ethylphenyl)-3-hydroxy-2,3,6,7-tetrahydro-5H-imidazo[2,1-b][1,3]thiazin-1-ium--bromide (1/1) |
| Molecular Weight: | 479.44 |
| Molecular Formula: | C22 H27 N2 O3 S |
| Salt: | Br- |
| Smiles: | CCc1ccc(cc1)C1(C[N+](=C2N1CCCS2)c1cc(ccc1OC)OC)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2626 |
| logD: | 5.2626 |
| logSw: | -4.9125 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.385 |
| InChI Key: | KNWPTWBRVNGJTI-QFIPXVFZSA-N |