9-(2,3-dimethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Chemical Structure Depiction of
9-(2,3-dimethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
9-(2,3-dimethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | 5225-4087 |
| Compound Name: | 9-(2,3-dimethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 492.53 |
| Molecular Formula: | C26 H28 N4 O6 |
| Smiles: | COc1cccc(C2C3=C(CCCC3=O)Nc3nc(c4cc(c(c(c4)OC)OC)OC)nn23)c1OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6028 |
| logD: | 3.5954 |
| logSw: | -3.9031 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.67 |
| InChI Key: | FHXWVPYKQQEKBQ-QFIPXVFZSA-N |