9-(2,4-dimethoxyphenyl)-6-[(E)-2-phenylethenyl]-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Chemical Structure Depiction of
9-(2,4-dimethoxyphenyl)-6-[(E)-2-phenylethenyl]-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
9-(2,4-dimethoxyphenyl)-6-[(E)-2-phenylethenyl]-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | Y021-0437 |
| Compound Name: | 9-(2,4-dimethoxyphenyl)-6-[(E)-2-phenylethenyl]-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 428.49 |
| Molecular Formula: | C25 H24 N4 O3 |
| Smiles: | COc1ccc(C2C3=C(CC(CC3=O)/C=C/c3ccccc3)Nc3ncnn23)c(c1)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.5518 |
| logD: | 3.897 |
| logSw: | -4.4517 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.46 |
| InChI Key: | VOQQNNDPEMNPGA-CMDGGOBGSA-N |