6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-[(4-methylphenyl)methyl][1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
Chemical Structure Depiction of
6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-[(4-methylphenyl)methyl][1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-[(4-methylphenyl)methyl][1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
Compound characteristics
| Compound ID: | P047-0243 |
| Compound Name: | 6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-[(4-methylphenyl)methyl][1,2,4]triazolo[4,3-a]pyridin-3(2H)-one |
| Molecular Weight: | 434.52 |
| Molecular Formula: | C23 H22 N4 O3 S |
| Smiles: | Cc1ccc(CN2C(N3C=C(C=CC3=N2)S(N2CCc3ccccc3C2)(=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.6774 |
| logD: | 3.6773 |
| logSw: | -3.6861 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.172 |
| InChI Key: | IQEITDIFNWXKNU-UHFFFAOYSA-N |