3,3,6,6-tetramethyl-9-(3-phenyl-1H-pyrazol-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-(3-phenyl-1H-pyrazol-4-yl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
3,3,6,6-tetramethyl-9-(3-phenyl-1H-pyrazol-4-yl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Compound characteristics
| Compound ID: | 8008-2086 |
| Compound Name: | 3,3,6,6-tetramethyl-9-(3-phenyl-1H-pyrazol-4-yl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione |
| Molecular Weight: | 416.52 |
| Molecular Formula: | C26 H28 N2 O3 |
| Smiles: | CC1(C)CC2=C(C(C3=C(CC(C)(C)CC3=O)O2)c2c[nH]nc2c2ccccc2)C(C1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2154 |
| logD: | 4.2154 |
| logSw: | -4.4126 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.587 |
| InChI Key: | KYONOOOPPUMVIY-UHFFFAOYSA-N |