5,5-dimethyl-2,3,5,6-tetrahydro[1,3]thiazolo[2,3-a]isoquinolin-4-ium--bromide (1/1)
Chemical Structure Depiction of
5,5-dimethyl-2,3,5,6-tetrahydro[1,3]thiazolo[2,3-a]isoquinolin-4-ium--bromide (1/1)
5,5-dimethyl-2,3,5,6-tetrahydro[1,3]thiazolo[2,3-a]isoquinolin-4-ium--bromide (1/1)
Compound characteristics
Compound ID: | 8011-1859 |
Compound Name: | 5,5-dimethyl-2,3,5,6-tetrahydro[1,3]thiazolo[2,3-a]isoquinolin-4-ium--bromide (1/1) |
Molecular Weight: | 298.24 |
Molecular Formula: | C13 H16 N S |
Salt: | Br- |
Smiles: | CC1(C)Cc2ccccc2C2=[N+]1CCS2 |
Stereo: | ACHIRAL |
logP: | 2.8672 |
logD: | 2.8672 |
logSw: | -3.2896 |
Hydrogen bond acceptors count: | 1 |
Polar surface area: | 3.1201 |
InChI Key: | JGSITVKWCDIFSU-UHFFFAOYSA-N |