9-[4-(benzyloxy)-3-ethoxyphenyl]-6,6-dimethyl-2-phenyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Chemical Structure Depiction of
9-[4-(benzyloxy)-3-ethoxyphenyl]-6,6-dimethyl-2-phenyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
9-[4-(benzyloxy)-3-ethoxyphenyl]-6,6-dimethyl-2-phenyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | 5055-4709 |
| Compound Name: | 9-[4-(benzyloxy)-3-ethoxyphenyl]-6,6-dimethyl-2-phenyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 520.63 |
| Molecular Formula: | C32 H32 N4 O3 |
| Smiles: | CCOc1cc(ccc1OCc1ccccc1)C1C2=C(CC(C)(C)CC2=O)Nc2nc(c3ccccc3)nn12 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.1035 |
| logD: | 6.0855 |
| logSw: | -5.5425 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.869 |
| InChI Key: | XLTTZNKIHISUTL-LJAQVGFWSA-N |