6-(pyrrolidine-1-sulfonyl)-2-{[3-(trifluoromethyl)phenyl]methyl}[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
Chemical Structure Depiction of
6-(pyrrolidine-1-sulfonyl)-2-{[3-(trifluoromethyl)phenyl]methyl}[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
6-(pyrrolidine-1-sulfonyl)-2-{[3-(trifluoromethyl)phenyl]methyl}[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
Compound characteristics
| Compound ID: | P047-0053 |
| Compound Name: | 6-(pyrrolidine-1-sulfonyl)-2-{[3-(trifluoromethyl)phenyl]methyl}[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one |
| Molecular Weight: | 426.42 |
| Molecular Formula: | C18 H17 F3 N4 O3 S |
| Smiles: | C1CCN(C1)S(C1C=CC2=NN(Cc3cccc(c3)C(F)(F)F)C(N2C=1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6413 |
| logD: | 2.6412 |
| logSw: | -2.9647 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.877 |
| InChI Key: | VKGUUXUWXGUECU-UHFFFAOYSA-N |