3-{2-[(3-ethyl-5-methylnaphtho[2,1-d][1,3]thiazol-2(3H)-ylidene)methyl]quinolin-1-ium-1-yl}propane-1-sulfonate
Chemical Structure Depiction of
3-{2-[(3-ethyl-5-methylnaphtho[2,1-d][1,3]thiazol-2(3H)-ylidene)methyl]quinolin-1-ium-1-yl}propane-1-sulfonate
3-{2-[(3-ethyl-5-methylnaphtho[2,1-d][1,3]thiazol-2(3H)-ylidene)methyl]quinolin-1-ium-1-yl}propane-1-sulfonate
Compound characteristics
| Compound ID: | 7165-0215 |
| Compound Name: | 3-{2-[(3-ethyl-5-methylnaphtho[2,1-d][1,3]thiazol-2(3H)-ylidene)methyl]quinolin-1-ium-1-yl}propane-1-sulfonate |
| Molecular Weight: | 490.64 |
| Molecular Formula: | C27 H26 N2 O3 S2 |
| Smiles: | CCN1/C(=C\c2ccc3ccccc3[n+]2CCCS([O-])(=O)=O)Sc2c1cc(C)c1ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 4.9299 |
| logD: | 4.9299 |
| logSw: | -5.3158 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.33 |
| InChI Key: | RIKDSCRNBVXRKV-UHFFFAOYSA-N |