[8-(azepane-1-sulfonyl)-3-oxo[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl]acetonitrile
Chemical Structure Depiction of
[8-(azepane-1-sulfonyl)-3-oxo[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl]acetonitrile
[8-(azepane-1-sulfonyl)-3-oxo[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl]acetonitrile
Compound characteristics
| Compound ID: | M113-0547 |
| Compound Name: | [8-(azepane-1-sulfonyl)-3-oxo[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl]acetonitrile |
| Molecular Weight: | 335.38 |
| Molecular Formula: | C14 H17 N5 O3 S |
| Smiles: | C1CCCN(CC1)S(C1=CC=CN2C1=NN(CC#N)C2=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.7628 |
| logD: | 0.7628 |
| logSw: | -1.5439 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 81.085 |
| InChI Key: | LJCVNWFDLCCSAB-UHFFFAOYSA-N |