1-(4-chlorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-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-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-hydroxy-2,3,6,7-tetrahydro-5H-imidazo[2,1-b][1,3]thiazin-1-ium--bromide (1/1)
1-(4-chlorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-hydroxy-2,3,6,7-tetrahydro-5H-imidazo[2,1-b][1,3]thiazin-1-ium--bromide (1/1)
Compound characteristics
| Compound ID: | K404-0342 |
| Compound Name: | 1-(4-chlorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-hydroxy-2,3,6,7-tetrahydro-5H-imidazo[2,1-b][1,3]thiazin-1-ium--bromide (1/1) |
| Molecular Weight: | 483.81 |
| Molecular Formula: | C20 H20 Cl N2 O3 S |
| Salt: | Br- |
| Smiles: | C1CN2C(=[N+](CC2(c2ccc3c(c2)OCCO3)O)c2ccc(cc2)[Cl])SC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8725 |
| logD: | 3.8725 |
| logSw: | -4.3292 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.334 |
| InChI Key: | JOWFNOIOCIDRCZ-FQEVSTJZSA-N |