9-(4-chlorophenyl)-6-(4-methylphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Chemical Structure Depiction of
9-(4-chlorophenyl)-6-(4-methylphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
9-(4-chlorophenyl)-6-(4-methylphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
Compound ID: | Y020-6249 |
Compound Name: | 9-(4-chlorophenyl)-6-(4-methylphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
Molecular Weight: | 390.87 |
Molecular Formula: | C22 H19 Cl N4 O |
Smiles: | Cc1ccc(cc1)C1CC2=C(C(c3ccc(cc3)[Cl])n3c(N2)ncn3)C(C1)=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 4.9764 |
logD: | 4.4823 |
logSw: | -5.1889 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 51.285 |
InChI Key: | OWMDBPXZHUGWRW-UHFFFAOYSA-N |