9-(2,5-dimethoxyphenyl)-2-phenyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Chemical Structure Depiction of
9-(2,5-dimethoxyphenyl)-2-phenyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
9-(2,5-dimethoxyphenyl)-2-phenyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | 6069-0504 |
| Compound Name: | 9-(2,5-dimethoxyphenyl)-2-phenyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 402.45 |
| Molecular Formula: | C23 H22 N4 O3 |
| Smiles: | COc1ccc(c(c1)C1C2=C(CCCC2=O)Nc2nc(c3ccccc3)nn12)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3292 |
| logD: | 4.3218 |
| logSw: | -4.4729 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.519 |
| InChI Key: | NGGOVNZCZMIVPT-NRFANRHFSA-N |