(4-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-1-methyl[1,2,4]triazolo[4,3-a]quinoxalin-8-yl)(phenyl)methanone
Chemical Structure Depiction of
(4-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-1-methyl[1,2,4]triazolo[4,3-a]quinoxalin-8-yl)(phenyl)methanone
(4-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-1-methyl[1,2,4]triazolo[4,3-a]quinoxalin-8-yl)(phenyl)methanone
Compound characteristics
| Compound ID: | C301-5121 |
| Compound Name: | (4-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-1-methyl[1,2,4]triazolo[4,3-a]quinoxalin-8-yl)(phenyl)methanone |
| Molecular Weight: | 437.46 |
| Molecular Formula: | C25 H19 N5 O3 |
| Smiles: | Cc1nnc2c(NCc3ccc4c(c3)OCO4)nc3ccc(cc3n12)C(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6662 |
| logD: | 3.6662 |
| logSw: | -3.88 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.154 |
| InChI Key: | OARKQUQBJCWZJT-UHFFFAOYSA-N |