6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-[(3-fluorophenyl)methyl][1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
Chemical Structure Depiction of
6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-[(3-fluorophenyl)methyl][1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-[(3-fluorophenyl)methyl][1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
Compound characteristics
| Compound ID: | P047-0252 |
| Compound Name: | 6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-[(3-fluorophenyl)methyl][1,2,4]triazolo[4,3-a]pyridin-3(2H)-one |
| Molecular Weight: | 438.48 |
| Molecular Formula: | C22 H19 F N4 O3 S |
| Smiles: | C1CN(Cc2ccccc12)S(C1C=CC2=NN(Cc3cccc(c3)F)C(N2C=1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3761 |
| logD: | 3.3761 |
| logSw: | -3.6283 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.172 |
| InChI Key: | ODKBCOPZTQYVIA-UHFFFAOYSA-N |