2-methoxy-4-({4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-ylidene}methyl)phenyl adamantane-1-carboxylate
Chemical Structure Depiction of
2-methoxy-4-({4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-ylidene}methyl)phenyl adamantane-1-carboxylate
2-methoxy-4-({4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-ylidene}methyl)phenyl adamantane-1-carboxylate
Compound characteristics
| Compound ID: | 2151-0859 |
| Compound Name: | 2-methoxy-4-({4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-ylidene}methyl)phenyl adamantane-1-carboxylate |
| Molecular Weight: | 573.65 |
| Molecular Formula: | C29 H26 F3 N O4 S2 |
| Smiles: | COc1cc(/C=C2/C(N(C(=S)S2)c2cccc(c2)C(F)(F)F)=O)ccc1OC(C12CC3CC(CC(C3)C2)C1)=O |
| Stereo: | ACHIRAL |
| logP: | 7.5085 |
| logD: | 7.5085 |
| logSw: | -5.9155 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 43.959 |
| InChI Key: | PEKOFLIKKVTUAB-UHFFFAOYSA-N |