ethyl N-{3-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanoyl}alaninate
Chemical Structure Depiction of
ethyl N-{3-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanoyl}alaninate
ethyl N-{3-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanoyl}alaninate
Compound characteristics
| Compound ID: | G395-1230 |
| Compound Name: | ethyl N-{3-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanoyl}alaninate |
| Molecular Weight: | 432.48 |
| Molecular Formula: | C20 H28 N6 O5 |
| Smiles: | CCOC(C(C)NC(CCc1nnc2ccc(nn12)N1CCC2(CC1)OCCO2)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.3929 |
| logD: | 0.3928 |
| logSw: | -1.9018 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.386 |
| InChI Key: | MFBAAEXYYMCGCO-AWEZNQCLSA-N |