9-(2H-1,3-benzodioxol-5-yl)-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-(2H-1,3-benzodioxol-5-yl)-2-(3,4,5-trimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
9-(2H-1,3-benzodioxol-5-yl)-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: | 5225-4100 |
| Compound Name: | 9-(2H-1,3-benzodioxol-5-yl)-2-(3,4,5-trimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 476.49 |
| Molecular Formula: | C25 H24 N4 O6 |
| Smiles: | COc1cc(cc(c1OC)OC)c1nc2NC3CCCC(C=3C(c3ccc4c(c3)OCO4)n2n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.697 |
| logD: | 3.6896 |
| logSw: | -4.0458 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.438 |
| InChI Key: | OMHMUCYGMLAKSJ-QFIPXVFZSA-N |