N-[(1S)-3-(methylsulfanyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2(3H)-yl)acetamide
Chemical Structure Depiction of
N-[(1S)-3-(methylsulfanyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2(3H)-yl)acetamide
N-[(1S)-3-(methylsulfanyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2(3H)-yl)acetamide
Compound characteristics
| Compound ID: | Y042-1306 |
| Compound Name: | N-[(1S)-3-(methylsulfanyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2(3H)-yl)acetamide |
| Molecular Weight: | 412.51 |
| Molecular Formula: | C20 H24 N6 O2 S |
| Smiles: | CSCC[C@@H](c1nnc2ccccn12)NC(CN1C(C=C2CCCCC2=N1)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.9834 |
| logD: | 0.9834 |
| logSw: | -2.2794 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.945 |
| InChI Key: | QHOYUCKTCDKXJZ-INIZCTEOSA-N |