methyl [6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-3-oxo[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl]acetate
Chemical Structure Depiction of
methyl [6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-3-oxo[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl]acetate
methyl [6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-3-oxo[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl]acetate
Compound characteristics
| Compound ID: | P047-0234 |
| Compound Name: | methyl [6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-3-oxo[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl]acetate |
| Molecular Weight: | 402.43 |
| Molecular Formula: | C18 H18 N4 O5 S |
| Smiles: | COC(CN1C(N2C=C(C=CC2=N1)S(N1CCc2ccccc2C1)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3005 |
| logD: | 1.3005 |
| logSw: | -2.2178 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 85.023 |
| InChI Key: | QKPUEHBQFUMETN-UHFFFAOYSA-N |