2-[(3-bromophenyl)methyl]-8-(morpholine-4-sulfonyl)[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
Chemical Structure Depiction of
2-[(3-bromophenyl)methyl]-8-(morpholine-4-sulfonyl)[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
2-[(3-bromophenyl)methyl]-8-(morpholine-4-sulfonyl)[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
Compound characteristics
| Compound ID: | M113-0700 |
| Compound Name: | 2-[(3-bromophenyl)methyl]-8-(morpholine-4-sulfonyl)[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one |
| Molecular Weight: | 453.31 |
| Molecular Formula: | C17 H17 Br N4 O4 S |
| Smiles: | C1COCCN1S(C1=CC=CN2C1=NN(Cc1cccc(c1)[Br])C2=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9682 |
| logD: | 1.9682 |
| logSw: | -2.516 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.921 |
| InChI Key: | AEUFJGNZNIOFJP-UHFFFAOYSA-N |