4-(6-methoxy[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-[(2S)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-2-phenylpropyl]butanamide
Chemical Structure Depiction of
4-(6-methoxy[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-[(2S)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-2-phenylpropyl]butanamide
4-(6-methoxy[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-[(2S)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-2-phenylpropyl]butanamide
Compound characteristics
| Compound ID: | D754-0145 |
| Compound Name: | 4-(6-methoxy[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-[(2S)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-2-phenylpropyl]butanamide |
| Molecular Weight: | 484.56 |
| Molecular Formula: | C27 H28 N6 O3 |
| Smiles: | COc1ccc2nnc(CCCC(NC[C@@H](CN3Cc4ccccc4C3=O)c3ccccc3)=O)n2n1 |
| Stereo: | ABSOLUTE |
| logP: | 2.3504 |
| logD: | 2.3504 |
| logSw: | -3.0137 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.935 |
| InChI Key: | BVYMLNJADPSAQE-NRFANRHFSA-N |