4-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]-2-methoxyphenyl adamantane-1-carboxylate
Chemical Structure Depiction of
4-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]-2-methoxyphenyl adamantane-1-carboxylate
4-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]-2-methoxyphenyl adamantane-1-carboxylate
Compound characteristics
| Compound ID: | 8014-7721 |
| Compound Name: | 4-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]-2-methoxyphenyl adamantane-1-carboxylate |
| Molecular Weight: | 442.51 |
| Molecular Formula: | C28 H26 O5 |
| Smiles: | COc1cc(C=C2C(c3ccccc3C2=O)=O)ccc1OC(C12CC3CC(CC(C3)C2)C1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1356 |
| logD: | 6.1356 |
| logSw: | -5.7849 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 54.675 |
| InChI Key: | XDQOXXASCXHKPM-UHFFFAOYSA-N |