ethyl 2-[3-oxo-6-(pyrrolidine-1-sulfonyl)[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl]butanoate
Chemical Structure Depiction of
ethyl 2-[3-oxo-6-(pyrrolidine-1-sulfonyl)[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl]butanoate
ethyl 2-[3-oxo-6-(pyrrolidine-1-sulfonyl)[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl]butanoate
Compound characteristics
| Compound ID: | P047-0019 |
| Compound Name: | ethyl 2-[3-oxo-6-(pyrrolidine-1-sulfonyl)[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl]butanoate |
| Molecular Weight: | 382.44 |
| Molecular Formula: | C16 H22 N4 O5 S |
| Smiles: | CCC(C(=O)OCC)N1C(N2C=C(C=CC2=N1)S(N1CCCC1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.7803 |
| logD: | 1.7803 |
| logSw: | -2.0473 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 84.02 |
| InChI Key: | MAMGKDUSTSCVQE-ZDUSSCGKSA-N |