3-{[6-(4-methylpiperidine-1-sulfonyl)-3-oxo[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl]methyl}benzonitrile
Chemical Structure Depiction of
3-{[6-(4-methylpiperidine-1-sulfonyl)-3-oxo[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl]methyl}benzonitrile
3-{[6-(4-methylpiperidine-1-sulfonyl)-3-oxo[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl]methyl}benzonitrile
Compound characteristics
| Compound ID: | P047-0203 |
| Compound Name: | 3-{[6-(4-methylpiperidine-1-sulfonyl)-3-oxo[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl]methyl}benzonitrile |
| Molecular Weight: | 411.48 |
| Molecular Formula: | C20 H21 N5 O3 S |
| Smiles: | CC1CCN(CC1)S(C1C=CC2=NN(Cc3cccc(C#N)c3)C(N2C=1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2635 |
| logD: | 2.2635 |
| logSw: | -2.6741 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 81.567 |
| InChI Key: | VLIQLJOXPGVETI-UHFFFAOYSA-N |