3-(4-ethylphenyl)-3-hydroxy-1-(4-methoxyphenyl)-2,3,6,7-tetrahydro-5H-imidazo[2,1-b][1,3]thiazin-1-ium--bromide (1/1)
Chemical Structure Depiction of
3-(4-ethylphenyl)-3-hydroxy-1-(4-methoxyphenyl)-2,3,6,7-tetrahydro-5H-imidazo[2,1-b][1,3]thiazin-1-ium--bromide (1/1)
3-(4-ethylphenyl)-3-hydroxy-1-(4-methoxyphenyl)-2,3,6,7-tetrahydro-5H-imidazo[2,1-b][1,3]thiazin-1-ium--bromide (1/1)
Compound characteristics
| Compound ID: | K404-0271 |
| Compound Name: | 3-(4-ethylphenyl)-3-hydroxy-1-(4-methoxyphenyl)-2,3,6,7-tetrahydro-5H-imidazo[2,1-b][1,3]thiazin-1-ium--bromide (1/1) |
| Molecular Weight: | 449.41 |
| Molecular Formula: | C21 H25 N2 O2 S |
| Salt: | Br- |
| Smiles: | CCc1ccc(cc1)C1(C[N+](=C2N1CCCS2)c1ccc(cc1)OC)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1547 |
| logD: | 5.1547 |
| logSw: | -4.8083 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 31.0551 |
| InChI Key: | UNTOYFGODVPQDZ-NRFANRHFSA-N |