3-hydroxy-3-(3-nitrophenyl)-1-phenyl-2,3,6,7-tetrahydro-5H-imidazo[2,1-b][1,3]thiazin-1-ium--bromide (1/1)
Chemical Structure Depiction of
3-hydroxy-3-(3-nitrophenyl)-1-phenyl-2,3,6,7-tetrahydro-5H-imidazo[2,1-b][1,3]thiazin-1-ium--bromide (1/1)
3-hydroxy-3-(3-nitrophenyl)-1-phenyl-2,3,6,7-tetrahydro-5H-imidazo[2,1-b][1,3]thiazin-1-ium--bromide (1/1)
Compound characteristics
| Compound ID: | K404-0031 |
| Compound Name: | 3-hydroxy-3-(3-nitrophenyl)-1-phenyl-2,3,6,7-tetrahydro-5H-imidazo[2,1-b][1,3]thiazin-1-ium--bromide (1/1) |
| Molecular Weight: | 436.33 |
| Molecular Formula: | C18 H18 N3 O3 S |
| Salt: | Br- |
| Smiles: | C1CN2C(=[N+](CC2(c2cccc(c2)[N+]([O-])=O)O)c2ccccc2)SC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0402 |
| logD: | 4.0402 |
| logSw: | -4.0564 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.893 |
| InChI Key: | IVUNOEOGWUEBRN-SFHVURJKSA-N |