3-[2-({3-ethyl-5-[2-(3-ethyl-4,5-diphenyl-1,3-thiazol-2(3H)-ylidene)ethylidene]-4-oxo-1,3-thiazolidin-2-ylidene}methyl)-4,5-diphenyl-1,3-thiazol-3-ium-3-yl]propane-1-sulfonate
Chemical Structure Depiction of
3-[2-({3-ethyl-5-[2-(3-ethyl-4,5-diphenyl-1,3-thiazol-2(3H)-ylidene)ethylidene]-4-oxo-1,3-thiazolidin-2-ylidene}methyl)-4,5-diphenyl-1,3-thiazol-3-ium-3-yl]propane-1-sulfonate
3-[2-({3-ethyl-5-[2-(3-ethyl-4,5-diphenyl-1,3-thiazol-2(3H)-ylidene)ethylidene]-4-oxo-1,3-thiazolidin-2-ylidene}methyl)-4,5-diphenyl-1,3-thiazol-3-ium-3-yl]propane-1-sulfonate
Compound characteristics
| Compound ID: | 2324-0138 |
| Compound Name: | 3-[2-({3-ethyl-5-[2-(3-ethyl-4,5-diphenyl-1,3-thiazol-2(3H)-ylidene)ethylidene]-4-oxo-1,3-thiazolidin-2-ylidene}methyl)-4,5-diphenyl-1,3-thiazol-3-ium-3-yl]propane-1-sulfonate |
| Molecular Weight: | 790.06 |
| Molecular Formula: | C43 H39 N3 O4 S4 |
| Smiles: | CCN1/C(=C/C=C2\C(N(CC)/C(=C/c3[n+](CCCS([O-])(=O)=O)c(c4ccccc4)c(c4ccccc4)s3)S2)=O)SC(=C1c1ccccc1)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 8.7972 |
| logD: | 8.7971 |
| logSw: | -5.7261 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 59.999 |
| InChI Key: | JCXOXTCMEPYELY-JQGQPNATSA-N |