4-(3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)benzonitrile
Chemical Structure Depiction of
4-(3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)benzonitrile
4-(3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)benzonitrile
Compound characteristics
| Compound ID: | 3448-3651 |
| Compound Name: | 4-(3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)benzonitrile |
| Molecular Weight: | 375.47 |
| Molecular Formula: | C24 H25 N O3 |
| Smiles: | CC1(C)CC2=C(C(C3=C(CC(C)(C)CC3=O)O2)c2ccc(C#N)cc2)C(C1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7381 |
| logD: | 3.7381 |
| logSw: | -4.2789 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.453 |
| InChI Key: | UHUDMRVJPUYKBZ-UHFFFAOYSA-N |