2-methoxy-4-{[4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl adamantane-1-carboxylate
Chemical Structure Depiction of
2-methoxy-4-{[4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl adamantane-1-carboxylate
2-methoxy-4-{[4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl adamantane-1-carboxylate
Compound characteristics
| Compound ID: | 2151-0533 |
| Compound Name: | 2-methoxy-4-{[4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl adamantane-1-carboxylate |
| Molecular Weight: | 469.62 |
| Molecular Formula: | C25 H27 N O4 S2 |
| Smiles: | COc1cc(/C=C2/C(N(CC=C)C(=S)S2)=O)ccc1OC(C12CC3CC(CC(C3)C2)C1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9989 |
| logD: | 5.9989 |
| logSw: | -5.6333 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 44.82 |
| InChI Key: | GHKCMFOJNHBFAA-UHFFFAOYSA-N |