5,7-dimethyl-2-[(1-methylquinolin-2(1H)-ylidene)methyl]-3-(prop-2-en-1-yl)-1,3-benzothiazol-3-ium
Chemical Structure Depiction of
5,7-dimethyl-2-[(1-methylquinolin-2(1H)-ylidene)methyl]-3-(prop-2-en-1-yl)-1,3-benzothiazol-3-ium
5,7-dimethyl-2-[(1-methylquinolin-2(1H)-ylidene)methyl]-3-(prop-2-en-1-yl)-1,3-benzothiazol-3-ium
Compound characteristics
| Compound ID: | 7771-0692 |
| Compound Name: | 5,7-dimethyl-2-[(1-methylquinolin-2(1H)-ylidene)methyl]-3-(prop-2-en-1-yl)-1,3-benzothiazol-3-ium |
| Molecular Weight: | 486.42 |
| Molecular Formula: | C23 H23 N2 S |
| Salt: | I- |
| Smiles: | Cc1cc(C)c2c(c1)[n+](CC=C)c(\C=C1/C=Cc3ccccc3N1C)s2 |
| Stereo: | ACHIRAL |
| logP: | 6.7421 |
| logD: | 6.7421 |
| logSw: | -5.8539 |
| Polar surface area: | 2.0692 |
| InChI Key: | PKVYKCIHAYPPNK-UHFFFAOYSA-N |