1-(2,5-dimethoxyphenyl)-3-(3,4-dimethoxyphenyl)-3-hydroxy-2,3,6,7-tetrahydro-5H-imidazo[2,1-b][1,3]thiazin-1-ium
Chemical Structure Depiction of
1-(2,5-dimethoxyphenyl)-3-(3,4-dimethoxyphenyl)-3-hydroxy-2,3,6,7-tetrahydro-5H-imidazo[2,1-b][1,3]thiazin-1-ium
1-(2,5-dimethoxyphenyl)-3-(3,4-dimethoxyphenyl)-3-hydroxy-2,3,6,7-tetrahydro-5H-imidazo[2,1-b][1,3]thiazin-1-ium
Compound characteristics
| Compound ID: | K404-0218 |
| Compound Name: | 1-(2,5-dimethoxyphenyl)-3-(3,4-dimethoxyphenyl)-3-hydroxy-2,3,6,7-tetrahydro-5H-imidazo[2,1-b][1,3]thiazin-1-ium |
| Molecular Weight: | 511.43 |
| Molecular Formula: | C22 H27 N2 O5 S |
| Salt: | Br- |
| Smiles: | COc1ccc(c(c1)[N+]1CC(c2ccc(c(c2)OC)OC)(N2CCCSC=12)O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9303 |
| logD: | 3.9303 |
| logSw: | -4.003 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.645 |
| InChI Key: | ANMQFEYBCJIBQX-QFIPXVFZSA-N |