3-[1-(3,4-dimethylphenyl)-3,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl]-N-{2-[4-(methylsulfanyl)phenyl]ethyl}propanamide
Chemical Structure Depiction of
3-[1-(3,4-dimethylphenyl)-3,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl]-N-{2-[4-(methylsulfanyl)phenyl]ethyl}propanamide
3-[1-(3,4-dimethylphenyl)-3,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl]-N-{2-[4-(methylsulfanyl)phenyl]ethyl}propanamide
Compound characteristics
| Compound ID: | C561-2089 |
| Compound Name: | 3-[1-(3,4-dimethylphenyl)-3,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl]-N-{2-[4-(methylsulfanyl)phenyl]ethyl}propanamide |
| Molecular Weight: | 486.68 |
| Molecular Formula: | C29 H34 N4 O S |
| Smiles: | Cc1ccc(cc1C)n1c2c(c(C)c(CCC(NCCc3ccc(cc3)SC)=O)c(C)n2)c(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.8559 |
| logD: | 5.8436 |
| logSw: | -5.7698 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.252 |
| InChI Key: | LWLQBXJQBWXFPE-UHFFFAOYSA-N |