9-(2H-1,3-benzodioxol-5-yl)-2-(3,4-dimethoxyphenyl)-6,6-dimethyl-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-dimethoxyphenyl)-6,6-dimethyl-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-dimethoxyphenyl)-6,6-dimethyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | 5225-4940 |
| Compound Name: | 9-(2H-1,3-benzodioxol-5-yl)-2-(3,4-dimethoxyphenyl)-6,6-dimethyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 474.52 |
| Molecular Formula: | C26 H26 N4 O5 |
| Smiles: | CC1(C)CC2=C(C(c3ccc4c(c3)OCO4)n3c(N2)nc(c2ccc(c(c2)OC)OC)n3)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4426 |
| logD: | 4.4246 |
| logSw: | -4.4661 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.721 |
| InChI Key: | IWSNOMUYHLQJNH-QHCPKHFHSA-N |