3-methyl-2-{[6-methyl-1-(prop-2-en-1-yl)quinolin-2(1H)-ylidene]methyl}-1,3-benzothiazol-3-ium
Chemical Structure Depiction of
3-methyl-2-{[6-methyl-1-(prop-2-en-1-yl)quinolin-2(1H)-ylidene]methyl}-1,3-benzothiazol-3-ium
3-methyl-2-{[6-methyl-1-(prop-2-en-1-yl)quinolin-2(1H)-ylidene]methyl}-1,3-benzothiazol-3-ium
Compound characteristics
| Compound ID: | 7771-0770 |
| Compound Name: | 3-methyl-2-{[6-methyl-1-(prop-2-en-1-yl)quinolin-2(1H)-ylidene]methyl}-1,3-benzothiazol-3-ium |
| Molecular Weight: | 472.39 |
| Molecular Formula: | C22 H21 N2 S |
| Salt: | I- |
| Smiles: | Cc1ccc2c(C=C/C(=C\c3[n+](C)c4ccccc4s3)N2CC=C)c1 |
| Stereo: | ACHIRAL |
| logP: | 6.0712 |
| logD: | 6.0712 |
| logSw: | -5.6281 |
| Polar surface area: | 3.1136 |
| InChI Key: | XTYJMAUTDJPSRU-UHFFFAOYSA-N |