N-[(1S)-3-(methylsulfanyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-4-[(pyrimidin-2-yl)amino]benzamide
Chemical Structure Depiction of
N-[(1S)-3-(methylsulfanyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-4-[(pyrimidin-2-yl)amino]benzamide
N-[(1S)-3-(methylsulfanyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-4-[(pyrimidin-2-yl)amino]benzamide
Compound characteristics
| Compound ID: | Y042-1336 |
| Compound Name: | N-[(1S)-3-(methylsulfanyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-4-[(pyrimidin-2-yl)amino]benzamide |
| Molecular Weight: | 419.51 |
| Molecular Formula: | C21 H21 N7 O S |
| Smiles: | CSCC[C@@H](c1nnc2ccccn12)NC(c1ccc(cc1)Nc1ncccn1)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.6387 |
| logD: | 1.6386 |
| logSw: | -2.3622 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.374 |
| InChI Key: | SBFUGVIRSWATLU-KRWDZBQOSA-N |