3-(6-{[(2-chlorophenyl)methyl]amino}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
Chemical Structure Depiction of
3-(6-{[(2-chlorophenyl)methyl]amino}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
3-(6-{[(2-chlorophenyl)methyl]amino}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
Compound characteristics
| Compound ID: | G395-0741 |
| Compound Name: | 3-(6-{[(2-chlorophenyl)methyl]amino}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide |
| Molecular Weight: | 464.91 |
| Molecular Formula: | C23 H21 Cl N6 O3 |
| Smiles: | C(Cc1nnc2ccc(NCc3ccccc3[Cl])nn12)C(Nc1ccc2c(c1)OCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1897 |
| logD: | 2.1896 |
| logSw: | -3.23 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.147 |
| InChI Key: | USCHHLOPOUGJIH-UHFFFAOYSA-N |