2-[(2-iodo-6-methoxy-4-{[3-(4-nitrophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenoxy)methyl]benzonitrile
Chemical Structure Depiction of
2-[(2-iodo-6-methoxy-4-{[3-(4-nitrophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenoxy)methyl]benzonitrile
2-[(2-iodo-6-methoxy-4-{[3-(4-nitrophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenoxy)methyl]benzonitrile
Compound characteristics
| Compound ID: | 3358-3680 |
| Compound Name: | 2-[(2-iodo-6-methoxy-4-{[3-(4-nitrophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenoxy)methyl]benzonitrile |
| Molecular Weight: | 629.45 |
| Molecular Formula: | C25 H16 I N3 O5 S2 |
| Smiles: | COc1cc(\C=C2/C(N(C(=S)S2)c2ccc(cc2)[N+]([O-])=O)=O)cc(c1OCc1ccccc1C#N)I |
| Stereo: | ACHIRAL |
| logP: | 5.7919 |
| logD: | 5.7919 |
| logSw: | -5.5741 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 81.3 |
| InChI Key: | LGZNEOYEZQAFIZ-UHFFFAOYSA-N |