2-benzyl-6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
Chemical Structure Depiction of
2-benzyl-6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
2-benzyl-6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
Compound characteristics
| Compound ID: | P047-0240 |
| Compound Name: | 2-benzyl-6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one |
| Molecular Weight: | 420.49 |
| Molecular Formula: | C22 H20 N4 O3 S |
| Smiles: | C1CN(Cc2ccccc12)S(C1C=CC2=NN(Cc3ccccc3)C(N2C=1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.254 |
| logD: | 3.2539 |
| logSw: | -3.2813 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.172 |
| InChI Key: | BUNYNHZKHKWFQV-UHFFFAOYSA-N |