N-[(1RS)-3-(methylsulfanyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-3-(1H-pyrrol-1-yl)-3-(thiophen-3-yl)propanamide
Chemical Structure Depiction of
N-[(1RS)-3-(methylsulfanyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-3-(1H-pyrrol-1-yl)-3-(thiophen-3-yl)propanamide
N-[(1RS)-3-(methylsulfanyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-3-(1H-pyrrol-1-yl)-3-(thiophen-3-yl)propanamide
Compound characteristics
| Compound ID: | Y043-5789 |
| Compound Name: | N-[(1RS)-3-(methylsulfanyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-3-(1H-pyrrol-1-yl)-3-(thiophen-3-yl)propanamide |
| Molecular Weight: | 425.57 |
| Molecular Formula: | C21 H23 N5 O S2 |
| Smiles: | CSCC[C@@H](c1nnc2ccccn12)NC(CC(c1ccsc1)n1cccc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.9499 |
| logD: | 2.9499 |
| logSw: | -3.2744 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.22 |
| InChI Key: | IFSOZDDERJNFHD-ZENAZSQFSA-N |