tert-butyl [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
tert-butyl [6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-3-oxo[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl]acetate
tert-butyl [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: | P047-0248 |
| Compound Name: | tert-butyl [6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-3-oxo[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl]acetate |
| Molecular Weight: | 444.51 |
| Molecular Formula: | C21 H24 N4 O5 S |
| Smiles: | CC(C)(C)OC(CN1C(N2C=C(C=CC2=N1)S(N1CCc2ccccc2C1)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7261 |
| logD: | 2.7261 |
| logSw: | -3.0951 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 83.712 |
| InChI Key: | NMTZZGCQQOMKPO-UHFFFAOYSA-N |