methyl N-(3-{6-[4-(3-methoxyphenyl)piperazin-1-yl][1,2,4]triazolo[4,3-b]pyridazin-3-yl}propanoyl)valinate
Chemical Structure Depiction of
methyl N-(3-{6-[4-(3-methoxyphenyl)piperazin-1-yl][1,2,4]triazolo[4,3-b]pyridazin-3-yl}propanoyl)valinate
methyl N-(3-{6-[4-(3-methoxyphenyl)piperazin-1-yl][1,2,4]triazolo[4,3-b]pyridazin-3-yl}propanoyl)valinate
Compound characteristics
| Compound ID: | E591-0080 |
| Compound Name: | methyl N-(3-{6-[4-(3-methoxyphenyl)piperazin-1-yl][1,2,4]triazolo[4,3-b]pyridazin-3-yl}propanoyl)valinate |
| Molecular Weight: | 495.58 |
| Molecular Formula: | C25 H33 N7 O4 |
| Smiles: | CC(C)C(C(=O)OC)NC(CCc1nnc2ccc(nn12)N1CCN(CC1)c1cccc(c1)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5589 |
| logD: | 2.5588 |
| logSw: | -2.8579 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.362 |
| InChI Key: | FOHNSFCGRHBXFO-DEOSSOPVSA-N |