2-ethoxy-4-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl 3-nitrobenzoate
Chemical Structure Depiction of
2-ethoxy-4-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl 3-nitrobenzoate
2-ethoxy-4-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl 3-nitrobenzoate
Compound characteristics
| Compound ID: | 3584-0962 |
| Compound Name: | 2-ethoxy-4-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl 3-nitrobenzoate |
| Molecular Weight: | 458.51 |
| Molecular Formula: | C21 H18 N2 O6 S2 |
| Smiles: | CCN1C(/C(=C\c2ccc(c(c2)OCC)OC(c2cccc(c2)[N+]([O-])=O)=O)SC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1391 |
| logD: | 4.1391 |
| logSw: | -4.4121 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 77.495 |
| InChI Key: | WWNIKMJXCSIJCI-UHFFFAOYSA-N |