1-(2,5-dimethoxyphenyl)-3-hydroxy-3-(3-nitrophenyl)-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-hydroxy-3-(3-nitrophenyl)-2,3,6,7-tetrahydro-5H-imidazo[2,1-b][1,3]thiazin-1-ium--bromide (1/1)
1-(2,5-dimethoxyphenyl)-3-hydroxy-3-(3-nitrophenyl)-2,3,6,7-tetrahydro-5H-imidazo[2,1-b][1,3]thiazin-1-ium--bromide (1/1)
Compound characteristics
| Compound ID: | K404-0216 |
| Compound Name: | 1-(2,5-dimethoxyphenyl)-3-hydroxy-3-(3-nitrophenyl)-2,3,6,7-tetrahydro-5H-imidazo[2,1-b][1,3]thiazin-1-ium--bromide (1/1) |
| Molecular Weight: | 496.38 |
| Molecular Formula: | C20 H22 N3 O5 S |
| Salt: | Br- |
| Smiles: | COc1ccc(c(c1)[N+]1CC(c2cccc(c2)[N+]([O-])=O)(N2CCCSC=12)O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.252 |
| logD: | 4.252 |
| logSw: | -4.2638 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.766 |
| InChI Key: | YMGGFNPKLUFEDQ-FQEVSTJZSA-N |