2-[4-(dimethylamino)phenyl]-9-(4-fluorophenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Chemical Structure Depiction of
2-[4-(dimethylamino)phenyl]-9-(4-fluorophenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
2-[4-(dimethylamino)phenyl]-9-(4-fluorophenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | 5225-4589 |
| Compound Name: | 2-[4-(dimethylamino)phenyl]-9-(4-fluorophenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 403.46 |
| Molecular Formula: | C23 H22 F N5 O |
| Smiles: | CN(C)c1ccc(cc1)c1nc2NC3CCCC(C=3C(c3ccc(cc3)F)n2n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3729 |
| logD: | 4.3655 |
| logSw: | -4.4379 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.149 |
| InChI Key: | XHKYHDJCSPHWTH-NRFANRHFSA-N |