4-hydroxy-8-methoxy-N-[(1S)-3-(methylsulfanyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]quinoline-3-carboxamide
Chemical Structure Depiction of
4-hydroxy-8-methoxy-N-[(1S)-3-(methylsulfanyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]quinoline-3-carboxamide
4-hydroxy-8-methoxy-N-[(1S)-3-(methylsulfanyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]quinoline-3-carboxamide
Compound characteristics
| Compound ID: | Y043-5242 |
| Compound Name: | 4-hydroxy-8-methoxy-N-[(1S)-3-(methylsulfanyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]quinoline-3-carboxamide |
| Molecular Weight: | 423.49 |
| Molecular Formula: | C21 H21 N5 O3 S |
| Smiles: | COc1cccc2c(c(cnc12)C(N[C@@H](CCSC)c1nnc2ccccn12)=O)O |
| Stereo: | ABSOLUTE |
| logP: | 2.3412 |
| logD: | 2.3359 |
| logSw: | -2.7006 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.625 |
| InChI Key: | URJRPMIGJXNTFH-HNNXBMFYSA-N |