4-[(3-cyclohexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenyl adamantane-1-carboxylate
Chemical Structure Depiction of
4-[(3-cyclohexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenyl adamantane-1-carboxylate
4-[(3-cyclohexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenyl adamantane-1-carboxylate
Compound characteristics
| Compound ID: | 2151-0927 |
| Compound Name: | 4-[(3-cyclohexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenyl adamantane-1-carboxylate |
| Molecular Weight: | 511.7 |
| Molecular Formula: | C28 H33 N O4 S2 |
| Smiles: | COc1cc(/C=C2/C(N(C3CCCCC3)C(=S)S2)=O)ccc1OC(C12CC3CC(CC(C3)C2)C1)=O |
| Stereo: | ACHIRAL |
| logP: | 7.1659 |
| logD: | 7.1659 |
| logSw: | -5.6731 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 43.792 |
| InChI Key: | STRDVODMDOTOED-UHFFFAOYSA-N |