N-(2H-1,3-benzodioxol-5-yl)-3-methyl[1,2,4]triazolo[4,3-c]quinazolin-5-amine
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-3-methyl[1,2,4]triazolo[4,3-c]quinazolin-5-amine
N-(2H-1,3-benzodioxol-5-yl)-3-methyl[1,2,4]triazolo[4,3-c]quinazolin-5-amine
Compound characteristics
| Compound ID: | E881-0008 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-3-methyl[1,2,4]triazolo[4,3-c]quinazolin-5-amine |
| Molecular Weight: | 319.32 |
| Molecular Formula: | C17 H13 N5 O2 |
| Smiles: | Cc1nnc2c3ccccc3nc(Nc3ccc4c(c3)OCO4)n12 |
| Stereo: | ACHIRAL |
| logP: | 2.8556 |
| logD: | 2.7038 |
| logSw: | -3.1641 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.984 |
| InChI Key: | PKVIALQETANICN-UHFFFAOYSA-N |