2-ethoxy-4-[(4-oxo-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl 3-nitrobenzoate
Chemical Structure Depiction of
2-ethoxy-4-[(4-oxo-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl 3-nitrobenzoate
2-ethoxy-4-[(4-oxo-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl 3-nitrobenzoate
Compound characteristics
| Compound ID: | 1588-0014 |
| Compound Name: | 2-ethoxy-4-[(4-oxo-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl 3-nitrobenzoate |
| Molecular Weight: | 506.56 |
| Molecular Formula: | C25 H18 N2 O6 S2 |
| Smiles: | CCOc1cc(/C=C2/C(N(C(=S)S2)c2ccccc2)=O)ccc1OC(c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8565 |
| logD: | 4.8565 |
| logSw: | -4.7679 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 76.887 |
| InChI Key: | QUNQMUOFHWLYDE-UHFFFAOYSA-N |