3-methyl-2-{[1-(prop-2-en-1-yl)quinolin-2(1H)-ylidene]methyl}-1,3-benzothiazol-3-ium--bromide (1/1)
Chemical Structure Depiction of
3-methyl-2-{[1-(prop-2-en-1-yl)quinolin-2(1H)-ylidene]methyl}-1,3-benzothiazol-3-ium--bromide (1/1)
3-methyl-2-{[1-(prop-2-en-1-yl)quinolin-2(1H)-ylidene]methyl}-1,3-benzothiazol-3-ium--bromide (1/1)
Compound characteristics
| Compound ID: | 7165-0807 |
| Compound Name: | 3-methyl-2-{[1-(prop-2-en-1-yl)quinolin-2(1H)-ylidene]methyl}-1,3-benzothiazol-3-ium--bromide (1/1) |
| Molecular Weight: | 411.36 |
| Molecular Formula: | C21 H19 N2 S |
| Salt: | Br- |
| Smiles: | C[n+]1c2ccccc2sc1\C=C1/C=Cc2ccccc2N1CC=C |
| Stereo: | ACHIRAL |
| logP: | 5.5978 |
| logD: | 5.5978 |
| logSw: | -5.5872 |
| Polar surface area: | 3.1136 |
| InChI Key: | FLSAOEWYSPDJFC-UHFFFAOYSA-N |