8-(azepane-1-carbonyl)-2-[(2-chloro-6-fluorophenyl)methyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
Chemical Structure Depiction of
8-(azepane-1-carbonyl)-2-[(2-chloro-6-fluorophenyl)methyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
8-(azepane-1-carbonyl)-2-[(2-chloro-6-fluorophenyl)methyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
Compound characteristics
| Compound ID: | SC27-2212 |
| Compound Name: | 8-(azepane-1-carbonyl)-2-[(2-chloro-6-fluorophenyl)methyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one |
| Molecular Weight: | 406.89 |
| Molecular Formula: | C20 H24 Cl F N4 O2 |
| Smiles: | C1CCCN(CC1)C(C1CCCN2C1=NN(Cc1c(cccc1[Cl])F)C2=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6714 |
| logD: | 3.6714 |
| logSw: | -4.0216 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 49.185 |
| InChI Key: | NLVLSCPLKVZWHC-CQSZACIVSA-N |