2-methoxy-4-{[3-(4-methoxyphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl adamantane-1-carboxylate
Chemical Structure Depiction of
2-methoxy-4-{[3-(4-methoxyphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl adamantane-1-carboxylate
2-methoxy-4-{[3-(4-methoxyphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl adamantane-1-carboxylate
Compound characteristics
| Compound ID: | 2151-0828 |
| Compound Name: | 2-methoxy-4-{[3-(4-methoxyphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl adamantane-1-carboxylate |
| Molecular Weight: | 535.68 |
| Molecular Formula: | C29 H29 N O5 S2 |
| Smiles: | COc1ccc(cc1)N1C(/C(=C/c2ccc(c(c2)OC)OC(C23CC4CC(CC(C4)C3)C2)=O)SC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 6.6343 |
| logD: | 6.6343 |
| logSw: | -5.767 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 51.503 |
| InChI Key: | RFDALPUPDXEILQ-UHFFFAOYSA-N |