N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(6-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(6-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(6-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
Compound characteristics
| Compound ID: | G395-1460 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(6-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide |
| Molecular Weight: | 474.48 |
| Molecular Formula: | C24 H22 N6 O5 |
| Smiles: | C(Cc1nnc2ccc(NCc3ccc4c(c3)OCO4)nn12)C(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9615 |
| logD: | 1.9615 |
| logSw: | -2.5478 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 102.877 |
| InChI Key: | FYHVCNMKYQVOIK-UHFFFAOYSA-N |