9-(2H-1,3-benzodioxol-5-yl)-2-(3-chlorophenyl)-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-chlorophenyl)-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-chlorophenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | 5225-4300 |
| Compound Name: | 9-(2H-1,3-benzodioxol-5-yl)-2-(3-chlorophenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 420.85 |
| Molecular Formula: | C22 H17 Cl N4 O3 |
| Smiles: | C1CC2=C(C(c3ccc4c(c3)OCO4)n3c(N2)nc(c2cccc(c2)[Cl])n3)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8756 |
| logD: | 4.8682 |
| logSw: | -5.1851 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.46 |
| InChI Key: | NSXSUHFHFHKDQD-FQEVSTJZSA-N |