3,3,6,6-tetramethyl-9-(pyridin-4-yl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Chemical Structure Depiction of
3,3,6,6-tetramethyl-9-(pyridin-4-yl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
3,3,6,6-tetramethyl-9-(pyridin-4-yl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Compound characteristics
| Compound ID: | Y200-0291 |
| Compound Name: | 3,3,6,6-tetramethyl-9-(pyridin-4-yl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione |
| Molecular Weight: | 351.44 |
| Molecular Formula: | C22 H25 N O3 |
| Smiles: | CC1(C)CC2=C(C(C3=C(CC(C)(C)CC3=O)O2)c2ccncc2)C(C1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9259 |
| logD: | 2.9256 |
| logSw: | -3.051 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 42.826 |
| InChI Key: | YBJMHOJAYIXUET-UHFFFAOYSA-N |