3-[bromo(phenyl)methyl]-8-cyano-5,7-dimethyl-2,3-dihydro[1,3]thiazolo[3,2-a]pyridin-4-ium--bromide (1/1)
Chemical Structure Depiction of
3-[bromo(phenyl)methyl]-8-cyano-5,7-dimethyl-2,3-dihydro[1,3]thiazolo[3,2-a]pyridin-4-ium--bromide (1/1)
3-[bromo(phenyl)methyl]-8-cyano-5,7-dimethyl-2,3-dihydro[1,3]thiazolo[3,2-a]pyridin-4-ium--bromide (1/1)
Compound characteristics
| Compound ID: | 8001-8139 |
| Compound Name: | 3-[bromo(phenyl)methyl]-8-cyano-5,7-dimethyl-2,3-dihydro[1,3]thiazolo[3,2-a]pyridin-4-ium--bromide (1/1) |
| Molecular Weight: | 440.2 |
| Molecular Formula: | C17 H16 Br N2 S |
| Salt: | Br- |
| Smiles: | Cc1cc(C)[n+]2C(CSc2c1C#N)C(c1ccccc1)[Br] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.5872 |
| logD: | 4.5872 |
| logSw: | -4.474 |
| Hydrogen bond acceptors count: | 2 |
| Polar surface area: | 17.2523 |
| InChI Key: | DQZFJJZXVHQIGO-UHFFFAOYSA-N |