3-[6-(benzylamino)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one
Chemical Structure Depiction of
3-[6-(benzylamino)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one
3-[6-(benzylamino)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one
Compound characteristics
| Compound ID: | G395-0494 |
| Compound Name: | 3-[6-(benzylamino)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one |
| Molecular Weight: | 422.49 |
| Molecular Formula: | C22 H26 N6 O3 |
| Smiles: | C(Cc1nnc2ccc(NCc3ccccc3)nn12)C(N1CCC2(CC1)OCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 0.7907 |
| logD: | 0.7907 |
| logSw: | -1.5449 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.004 |
| InChI Key: | SMXCNLSSKDMANQ-UHFFFAOYSA-N |