8-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-(2-phenoxyethyl)[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
Chemical Structure Depiction of
8-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-(2-phenoxyethyl)[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
8-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-(2-phenoxyethyl)[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
Compound characteristics
| Compound ID: | M113-0357 |
| Compound Name: | 8-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-(2-phenoxyethyl)[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one |
| Molecular Weight: | 450.52 |
| Molecular Formula: | C23 H22 N4 O4 S |
| Smiles: | C1CN(Cc2ccccc12)S(C1=CC=CN2C1=NN(CCOc1ccccc1)C2=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4629 |
| logD: | 3.4629 |
| logSw: | -3.4726 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.07 |
| InChI Key: | KKPYGPJYJWHBJO-UHFFFAOYSA-N |