3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2,5-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
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2,5-dimethoxyphenyl)-3-hydroxy-2,3,6,7-tetrahydro-5H-imidazo[2,1-b][1,3]thiazin-1-ium--bromide (1/1)
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2,5-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: | K404-0220 |
Compound Name: | 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2,5-dimethoxyphenyl)-3-hydroxy-2,3,6,7-tetrahydro-5H-imidazo[2,1-b][1,3]thiazin-1-ium--bromide (1/1) |
Molecular Weight: | 509.42 |
Molecular Formula: | C22 H25 N2 O5 S |
Salt: | Br- |
Smiles: | COc1ccc(c(c1)[N+]1CC(c2ccc3c(c2)OCCO3)(N2CCCSC=12)O)OC |
Stereo: | RACEMIC MIXTURE |
logP: | 3.368 |
logD: | 3.368 |
logSw: | -3.4798 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 54.208 |
InChI Key: | QKWLUIXVAYCQNA-QFIPXVFZSA-N |