1-(4-chlorophenyl)-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-(4-chlorophenyl)-3-hydroxy-3-(3-nitrophenyl)-2,3,6,7-tetrahydro-5H-imidazo[2,1-b][1,3]thiazin-1-ium--bromide (1/1)
1-(4-chlorophenyl)-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: | K404-0339 |
| Compound Name: | 1-(4-chlorophenyl)-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: | 470.77 |
| Molecular Formula: | C18 H17 Cl N3 O3 S |
| Salt: | Br- |
| Smiles: | C1CN2C(=[N+](CC2(c2cccc(c2)[N+]([O-])=O)O)c2ccc(cc2)[Cl])SC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7564 |
| logD: | 4.7564 |
| logSw: | -4.7985 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.893 |
| InChI Key: | PVDMCNYWLSARFA-SFHVURJKSA-N |