3-{[3-oxo-6-(pyrrolidine-1-sulfonyl)[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl]methyl}benzonitrile
Chemical Structure Depiction of
3-{[3-oxo-6-(pyrrolidine-1-sulfonyl)[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl]methyl}benzonitrile
3-{[3-oxo-6-(pyrrolidine-1-sulfonyl)[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl]methyl}benzonitrile
Compound characteristics
| Compound ID: | P047-0037 |
| Compound Name: | 3-{[3-oxo-6-(pyrrolidine-1-sulfonyl)[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl]methyl}benzonitrile |
| Molecular Weight: | 383.43 |
| Molecular Formula: | C18 H17 N5 O3 S |
| Smiles: | C1CCN(C1)S(C1C=CC2=NN(Cc3cccc(C#N)c3)C(N2C=1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.459 |
| logD: | 1.4589 |
| logSw: | -2.295 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 81.933 |
| InChI Key: | VTFUMWXOENABQY-UHFFFAOYSA-N |