2-(4-{[3-ethyl-2-(ethylimino)-4-oxo-1,3-thiazolidin-5-ylidene]methyl}-2-methoxyphenoxy)-5-nitrobenzonitrile
Chemical Structure Depiction of
2-(4-{[3-ethyl-2-(ethylimino)-4-oxo-1,3-thiazolidin-5-ylidene]methyl}-2-methoxyphenoxy)-5-nitrobenzonitrile
2-(4-{[3-ethyl-2-(ethylimino)-4-oxo-1,3-thiazolidin-5-ylidene]methyl}-2-methoxyphenoxy)-5-nitrobenzonitrile
Compound characteristics
| Compound ID: | 3615-0154 |
| Compound Name: | 2-(4-{[3-ethyl-2-(ethylimino)-4-oxo-1,3-thiazolidin-5-ylidene]methyl}-2-methoxyphenoxy)-5-nitrobenzonitrile |
| Molecular Weight: | 452.49 |
| Molecular Formula: | C22 H20 N4 O5 S |
| Smiles: | CC/N=C1/N(CC)C(/C(=C/c2ccc(c(c2)OC)Oc2ccc(cc2C#N)[N+]([O-])=O)S1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3306 |
| logD: | 4.3306 |
| logSw: | -4.6055 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 90.265 |
| InChI Key: | CSUFYOKLXZVYSM-UHFFFAOYSA-N |