2-[(2H-1,3-benzodioxol-5-yl)methyl]-8-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
Chemical Structure Depiction of
2-[(2H-1,3-benzodioxol-5-yl)methyl]-8-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
2-[(2H-1,3-benzodioxol-5-yl)methyl]-8-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
Compound characteristics
| Compound ID: | M113-0379 |
| Compound Name: | 2-[(2H-1,3-benzodioxol-5-yl)methyl]-8-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one |
| Molecular Weight: | 464.5 |
| Molecular Formula: | C23 H20 N4 O5 S |
| Smiles: | C1CN(Cc2ccccc12)S(C1=CC=CN2C1=NN(Cc1ccc3c(c1)OCO3)C2=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1569 |
| logD: | 3.1569 |
| logSw: | -3.3248 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 79.79 |
| InChI Key: | NFHIFBJSTUKUHH-UHFFFAOYSA-N |