4-{[3-(3-chlorophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2-methoxyphenyl adamantane-1-carboxylate
Chemical Structure Depiction of
4-{[3-(3-chlorophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2-methoxyphenyl adamantane-1-carboxylate
4-{[3-(3-chlorophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2-methoxyphenyl adamantane-1-carboxylate
Compound characteristics
| Compound ID: | 2151-0788 |
| Compound Name: | 4-{[3-(3-chlorophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2-methoxyphenyl adamantane-1-carboxylate |
| Molecular Weight: | 540.1 |
| Molecular Formula: | C28 H26 Cl N O4 S2 |
| Smiles: | COc1cc(/C=C2/C(N(C(=S)S2)c2cccc(c2)[Cl])=O)ccc1OC(C12CC3CC(CC(C3)C2)C1)=O |
| Stereo: | ACHIRAL |
| logP: | 7.2914 |
| logD: | 7.2914 |
| logSw: | -6.5917 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 43.959 |
| InChI Key: | VJNQCZUQFMCLBN-UHFFFAOYSA-N |