1-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-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-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-3-hydroxy-2,3,6,7-tetrahydro-5H-imidazo[2,1-b][1,3]thiazin-1-ium--bromide (1/1)
1-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-3-hydroxy-2,3,6,7-tetrahydro-5H-imidazo[2,1-b][1,3]thiazin-1-ium--bromide (1/1)
Compound characteristics
| Compound ID: | K404-0340 |
| Compound Name: | 1-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-3-hydroxy-2,3,6,7-tetrahydro-5H-imidazo[2,1-b][1,3]thiazin-1-ium--bromide (1/1) |
| Molecular Weight: | 485.83 |
| Molecular Formula: | C20 H22 Cl N2 O3 S |
| Salt: | Br- |
| Smiles: | COc1ccc(cc1OC)C1(C[N+](=C2N1CCCS2)c1ccc(cc1)[Cl])O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4348 |
| logD: | 4.4348 |
| logSw: | -4.53 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.772 |
| InChI Key: | JWNSIYQELRYPCB-FQEVSTJZSA-N |