9-{1-[(2,4-dichlorophenyl)methyl]-3-phenyl-1H-pyrazol-4-yl}-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Chemical Structure Depiction of
9-{1-[(2,4-dichlorophenyl)methyl]-3-phenyl-1H-pyrazol-4-yl}-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
9-{1-[(2,4-dichlorophenyl)methyl]-3-phenyl-1H-pyrazol-4-yl}-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Compound characteristics
| Compound ID: | 8008-2720 |
| Compound Name: | 9-{1-[(2,4-dichlorophenyl)methyl]-3-phenyl-1H-pyrazol-4-yl}-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione |
| Molecular Weight: | 575.54 |
| Molecular Formula: | C33 H32 Cl2 N2 O3 |
| Smiles: | CC1(C)CC2=C(C(C3=C(CC(C)(C)CC3=O)O2)c2cn(Cc3ccc(cc3[Cl])[Cl])nc2c2ccccc2)C(C1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.9829 |
| logD: | 6.9829 |
| logSw: | -6.2888 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.178 |
| InChI Key: | XBJMBOFTFMZTME-UHFFFAOYSA-N |