6-(azepane-1-sulfonyl)-2-[(2-chloro-4-fluorophenyl)methyl][1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
Chemical Structure Depiction of
6-(azepane-1-sulfonyl)-2-[(2-chloro-4-fluorophenyl)methyl][1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
6-(azepane-1-sulfonyl)-2-[(2-chloro-4-fluorophenyl)methyl][1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
Compound characteristics
| Compound ID: | P047-0344 |
| Compound Name: | 6-(azepane-1-sulfonyl)-2-[(2-chloro-4-fluorophenyl)methyl][1,2,4]triazolo[4,3-a]pyridin-3(2H)-one |
| Molecular Weight: | 438.91 |
| Molecular Formula: | C19 H20 Cl F N4 O3 S |
| Smiles: | C1CCCN(CC1)S(C1C=CC2=NN(Cc3ccc(cc3[Cl])F)C(N2C=1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5644 |
| logD: | 3.5644 |
| logSw: | -3.8161 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.842 |
| InChI Key: | QMZFCNHGJJCDLJ-UHFFFAOYSA-N |