2-ethoxy-4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl 3-nitrobenzoate
Chemical Structure Depiction of
2-ethoxy-4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl 3-nitrobenzoate
2-ethoxy-4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl 3-nitrobenzoate
Compound characteristics
| Compound ID: | 1588-0012 |
| Compound Name: | 2-ethoxy-4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl 3-nitrobenzoate |
| Molecular Weight: | 430.46 |
| Molecular Formula: | C19 H14 N2 O6 S2 |
| Smiles: | CCOc1cc(/C=C2/C(NC(=S)S2)=O)ccc1OC(c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6991 |
| logD: | 1.348 |
| logSw: | -3.3512 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.956 |
| InChI Key: | ANYQMZZRRJCITC-UHFFFAOYSA-N |