N-[(1S)-3-(methylsulfanyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-2-(4-nitro-1H-indol-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-nitro-1H-indol-1-yl)acetamide
N-[(1S)-3-(methylsulfanyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-2-(4-nitro-1H-indol-1-yl)acetamide
Compound characteristics
| Compound ID: | Y043-4672 |
| Compound Name: | N-[(1S)-3-(methylsulfanyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-2-(4-nitro-1H-indol-1-yl)acetamide |
| Molecular Weight: | 424.48 |
| Molecular Formula: | C20 H20 N6 O3 S |
| Smiles: | CSCC[C@@H](c1nnc2ccccn12)NC(Cn1ccc2c(cccc12)[N+]([O-])=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.0979 |
| logD: | 2.0979 |
| logSw: | -2.5113 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.87 |
| InChI Key: | FHBQCDXCWJNMGI-HNNXBMFYSA-N |