8-(azepane-1-sulfonyl)-2-{[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
Chemical Structure Depiction of
8-(azepane-1-sulfonyl)-2-{[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
8-(azepane-1-sulfonyl)-2-{[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
Compound characteristics
| Compound ID: | M113-0562 |
| Compound Name: | 8-(azepane-1-sulfonyl)-2-{[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one |
| Molecular Weight: | 469.56 |
| Molecular Formula: | C23 H27 N5 O4 S |
| Smiles: | C1CCCN(CC1)S(C1=CC=CN2C1=NN(Cc1ccc(cc1)N1CCCC1=O)C2=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5294 |
| logD: | 2.5294 |
| logSw: | -2.6292 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 80.16 |
| InChI Key: | WMNNQQHQSXDJKT-UHFFFAOYSA-N |