ethyl 2-[6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-3-oxo[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl]butanoate
Chemical Structure Depiction of
ethyl 2-[6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-3-oxo[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl]butanoate
ethyl 2-[6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-3-oxo[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl]butanoate
Compound characteristics
| Compound ID: | P047-0238 |
| Compound Name: | ethyl 2-[6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-3-oxo[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl]butanoate |
| Molecular Weight: | 444.51 |
| Molecular Formula: | C21 H24 N4 O5 S |
| Smiles: | CCC(C(=O)OCC)N1C(N2C=C(C=CC2=N1)S(N1CCc2ccccc2C1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1498 |
| logD: | 3.1498 |
| logSw: | -3.2699 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 83.315 |
| InChI Key: | BKORLCGXTKRKAU-SFHVURJKSA-N |