2-butyl-8-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
Chemical Structure Depiction of
2-butyl-8-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
2-butyl-8-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
Compound characteristics
| Compound ID: | M113-0345 |
| Compound Name: | 2-butyl-8-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one |
| Molecular Weight: | 386.47 |
| Molecular Formula: | C19 H22 N4 O3 S |
| Smiles: | CCCCN1C(N2C=CC=C(C2=N1)S(N1CCc2ccccc2C1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0788 |
| logD: | 3.0788 |
| logSw: | -3.2707 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.924 |
| InChI Key: | WIGYSMPMNHUHKF-UHFFFAOYSA-N |