9-(2,5-dimethoxyphenyl)-6,6-dimethyl-2-(3-methylphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Chemical Structure Depiction of
9-(2,5-dimethoxyphenyl)-6,6-dimethyl-2-(3-methylphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
9-(2,5-dimethoxyphenyl)-6,6-dimethyl-2-(3-methylphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
Compound ID: | 5225-4730 |
Compound Name: | 9-(2,5-dimethoxyphenyl)-6,6-dimethyl-2-(3-methylphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
Molecular Weight: | 444.53 |
Molecular Formula: | C26 H28 N4 O3 |
Smiles: | Cc1cccc(c1)c1nc2NC3CC(C)(C)CC(C=3C(c3cc(ccc3OC)OC)n2n1)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 5.4091 |
logD: | 5.3911 |
logSw: | -5.4569 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 65.519 |
InChI Key: | VZTVIYVVBKEJRR-QHCPKHFHSA-N |