2-methoxy-4-[(4-oxo-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl adamantane-1-carboxylate
Chemical Structure Depiction of
2-methoxy-4-[(4-oxo-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl adamantane-1-carboxylate
2-methoxy-4-[(4-oxo-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl adamantane-1-carboxylate
Compound characteristics
| Compound ID: | 2151-0465 |
| Compound Name: | 2-methoxy-4-[(4-oxo-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl adamantane-1-carboxylate |
| Molecular Weight: | 505.65 |
| Molecular Formula: | C28 H27 N O4 S2 |
| Smiles: | COc1cc(/C=C2/C(N(C(=S)S2)c2ccccc2)=O)ccc1OC(C12CC3CC(CC(C3)C2)C1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.5303 |
| logD: | 6.5303 |
| logSw: | -5.8099 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 43.959 |
| InChI Key: | RRQLNLXRVXYIAP-UHFFFAOYSA-N |