methyl 4-{3-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamido}benzoate
Chemical Structure Depiction of
methyl 4-{3-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamido}benzoate
methyl 4-{3-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamido}benzoate
Compound characteristics
| Compound ID: | G395-1237 |
| Compound Name: | methyl 4-{3-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamido}benzoate |
| Molecular Weight: | 466.5 |
| Molecular Formula: | C23 H26 N6 O5 |
| Smiles: | COC(c1ccc(cc1)NC(CCc1nnc2ccc(nn12)N1CCC2(CC1)OCCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5915 |
| logD: | 1.5914 |
| logSw: | -2.0602 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.049 |
| InChI Key: | IOVLTATWEYSHNP-UHFFFAOYSA-N |