9-(3,5-difluorophenyl)-6-(4-fluorophenyl)-2-methyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Chemical Structure Depiction of
9-(3,5-difluorophenyl)-6-(4-fluorophenyl)-2-methyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
9-(3,5-difluorophenyl)-6-(4-fluorophenyl)-2-methyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | Y020-6309 |
| Compound Name: | 9-(3,5-difluorophenyl)-6-(4-fluorophenyl)-2-methyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 410.4 |
| Molecular Formula: | C22 H17 F3 N4 O |
| Smiles: | Cc1nc2NC3CC(CC(C=3C(c3cc(cc(c3)F)F)n2n1)=O)c1ccc(cc1)F |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.3869 |
| logD: | 2.9675 |
| logSw: | -4.2968 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.958 |
| InChI Key: | WQKLYXWMBMBGKK-UHFFFAOYSA-N |