2-(2-methoxy-4-{[3-methyl-2-(methylimino)-4-oxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)-5-nitrobenzonitrile
Chemical Structure Depiction of
2-(2-methoxy-4-{[3-methyl-2-(methylimino)-4-oxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)-5-nitrobenzonitrile
2-(2-methoxy-4-{[3-methyl-2-(methylimino)-4-oxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)-5-nitrobenzonitrile
Compound characteristics
| Compound ID: | 3615-0164 |
| Compound Name: | 2-(2-methoxy-4-{[3-methyl-2-(methylimino)-4-oxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)-5-nitrobenzonitrile |
| Molecular Weight: | 424.43 |
| Molecular Formula: | C20 H16 N4 O5 S |
| Smiles: | C/N=C1/N(C)C(/C(=C/c2ccc(c(c2)OC)Oc2ccc(cc2C#N)[N+]([O-])=O)S1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3168 |
| logD: | 3.3168 |
| logSw: | -3.8836 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 92.915 |
| InChI Key: | NNRXWNDYRRTXKW-UHFFFAOYSA-N |