ethyl 2-[6-(azepane-1-sulfonyl)-3-oxo[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl]butanoate
Chemical Structure Depiction of
ethyl 2-[6-(azepane-1-sulfonyl)-3-oxo[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl]butanoate
ethyl 2-[6-(azepane-1-sulfonyl)-3-oxo[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl]butanoate
Compound characteristics
| Compound ID: | P047-0316 |
| Compound Name: | ethyl 2-[6-(azepane-1-sulfonyl)-3-oxo[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl]butanoate |
| Molecular Weight: | 410.49 |
| Molecular Formula: | C18 H26 N4 O5 S |
| Smiles: | CCC(C(=O)OCC)N1C(N2C=C(C=CC2=N1)S(N1CCCCCC1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6067 |
| logD: | 2.6067 |
| logSw: | -2.6866 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 83.984 |
| InChI Key: | GIJIFPDIFMUCPH-HNNXBMFYSA-N |