2-[(3-bromophenyl)methyl]-8-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
Chemical Structure Depiction of
2-[(3-bromophenyl)methyl]-8-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
2-[(3-bromophenyl)methyl]-8-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
Compound characteristics
| Compound ID: | M113-0390 |
| Compound Name: | 2-[(3-bromophenyl)methyl]-8-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one |
| Molecular Weight: | 499.38 |
| Molecular Formula: | C22 H19 Br N4 O3 S |
| Smiles: | C1CN(Cc2ccccc12)S(C1=CC=CN2C1=NN(Cc1cccc(c1)[Br])C2=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9967 |
| logD: | 3.9967 |
| logSw: | -4.212 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.674 |
| InChI Key: | HICMMZCQBHUIHD-UHFFFAOYSA-N |