[6-(azepane-1-sulfonyl)-3-oxo[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl]acetonitrile
Chemical Structure Depiction of
[6-(azepane-1-sulfonyl)-3-oxo[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl]acetonitrile
[6-(azepane-1-sulfonyl)-3-oxo[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl]acetonitrile
Compound characteristics
| Compound ID: | P047-0317 |
| Compound Name: | [6-(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(C1C=CC2=NN(CC#N)C(N2C=1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.7311 |
| logD: | 0.731 |
| logSw: | -1.5727 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 82.583 |
| InChI Key: | DEUOOSPPFCVPFP-UHFFFAOYSA-N |