N-[(1S)-3-(methylsulfanyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetamide
Chemical Structure Depiction of
N-[(1S)-3-(methylsulfanyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetamide
N-[(1S)-3-(methylsulfanyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetamide
Compound characteristics
| Compound ID: | Y042-1309 |
| Compound Name: | N-[(1S)-3-(methylsulfanyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetamide |
| Molecular Weight: | 408.48 |
| Molecular Formula: | C20 H20 N6 O2 S |
| Smiles: | CSCC[C@@H](c1nnc2ccccn12)NC(CC1c2ccccc2C(NN=1)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.8347 |
| logD: | 0.8347 |
| logSw: | -2.3068 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.974 |
| InChI Key: | HCHLWDAVBTUBRR-HNNXBMFYSA-N |