3-ethyl-2-({3-ethyl-5-[2-(1-ethylquinolin-4(1H)-ylidene)ethylidene]-4-oxo-1,3-thiazolidin-2-ylidene}methyl)-4,5-diphenyl-1,3-thiazol-3-ium--iodide (1/1)
Chemical Structure Depiction of
3-ethyl-2-({3-ethyl-5-[2-(1-ethylquinolin-4(1H)-ylidene)ethylidene]-4-oxo-1,3-thiazolidin-2-ylidene}methyl)-4,5-diphenyl-1,3-thiazol-3-ium--iodide (1/1)
3-ethyl-2-({3-ethyl-5-[2-(1-ethylquinolin-4(1H)-ylidene)ethylidene]-4-oxo-1,3-thiazolidin-2-ylidene}methyl)-4,5-diphenyl-1,3-thiazol-3-ium--iodide (1/1)
Compound characteristics
| Compound ID: | 2324-0034 |
| Compound Name: | 3-ethyl-2-({3-ethyl-5-[2-(1-ethylquinolin-4(1H)-ylidene)ethylidene]-4-oxo-1,3-thiazolidin-2-ylidene}methyl)-4,5-diphenyl-1,3-thiazol-3-ium--iodide (1/1) |
| Molecular Weight: | 715.72 |
| Molecular Formula: | C36 H34 N3 O S2 |
| Salt: | I- |
| Smiles: | CCN1C=C\C(=C\C=C2/C(N(CC)/C(=C/c3[n+](CC)c(c4ccccc4)c(c4ccccc4)s3)S2)=O)c2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 8.3967 |
| logD: | 8.3967 |
| logSw: | -5.8632 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 16.5646 |
| InChI Key: | NIBDUJOINXBUGE-NEIRUPRHSA-N |