1-ethyl-2-{[5-methoxy-3-(prop-2-en-1-yl)-1,3-benzothiazol-2(3H)-ylidene]methyl}-6-methylquinolin-1-ium--bromide (1/1)
Chemical Structure Depiction of
1-ethyl-2-{[5-methoxy-3-(prop-2-en-1-yl)-1,3-benzothiazol-2(3H)-ylidene]methyl}-6-methylquinolin-1-ium--bromide (1/1)
1-ethyl-2-{[5-methoxy-3-(prop-2-en-1-yl)-1,3-benzothiazol-2(3H)-ylidene]methyl}-6-methylquinolin-1-ium--bromide (1/1)
Compound characteristics
| Compound ID: | 7165-0669 |
| Compound Name: | 1-ethyl-2-{[5-methoxy-3-(prop-2-en-1-yl)-1,3-benzothiazol-2(3H)-ylidene]methyl}-6-methylquinolin-1-ium--bromide (1/1) |
| Molecular Weight: | 469.44 |
| Molecular Formula: | C24 H25 N2 O S |
| Salt: | Br- |
| Smiles: | CC[n+]1c(/C=C2/N(CC=C)c3cc(ccc3S2)OC)ccc2cc(C)ccc12 |
| Stereo: | ACHIRAL |
| logP: | 6.8632 |
| logD: | 6.8632 |
| logSw: | -6.0146 |
| Hydrogen bond acceptors count: | 2 |
| Polar surface area: | 9.0863 |
| InChI Key: | UNKSMGXXOZEUAP-UHFFFAOYSA-N |