2-methoxy-4-{[3-(4-nitrophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl adamantane-1-carboxylate
Chemical Structure Depiction of
2-methoxy-4-{[3-(4-nitrophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl adamantane-1-carboxylate
2-methoxy-4-{[3-(4-nitrophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl adamantane-1-carboxylate
Compound characteristics
| Compound ID: | 2151-1008 |
| Compound Name: | 2-methoxy-4-{[3-(4-nitrophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl adamantane-1-carboxylate |
| Molecular Weight: | 550.65 |
| Molecular Formula: | C28 H26 N2 O6 S2 |
| Smiles: | COc1cc(/C=C2/C(N(C(=S)S2)c2ccc(cc2)[N+]([O-])=O)=O)ccc1OC(C12CC3CC(CC(C3)C2)C1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.5776 |
| logD: | 6.5776 |
| logSw: | -5.7775 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 77.341 |
| InChI Key: | PIDUYHCIRUKOHX-UHFFFAOYSA-N |