6-(3-chlorophenyl)-9-(2-fluorophenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Chemical Structure Depiction of
6-(3-chlorophenyl)-9-(2-fluorophenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
6-(3-chlorophenyl)-9-(2-fluorophenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | Y020-6261 |
| Compound Name: | 6-(3-chlorophenyl)-9-(2-fluorophenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 394.83 |
| Molecular Formula: | C21 H16 Cl F N4 O |
| Smiles: | C1C(CC(C2C(c3ccccc3F)n3c(NC1=2)ncn3)=O)c1cccc(c1)[Cl] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.5817 |
| logD: | 4.1916 |
| logSw: | -4.8093 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.285 |
| InChI Key: | DNBITBJQVUBNAE-UHFFFAOYSA-N |