2-[(2-chloro-4-fluorophenyl)methyl]-6-(thiomorpholine-4-sulfonyl)[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
Chemical Structure Depiction of
2-[(2-chloro-4-fluorophenyl)methyl]-6-(thiomorpholine-4-sulfonyl)[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
2-[(2-chloro-4-fluorophenyl)methyl]-6-(thiomorpholine-4-sulfonyl)[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
Compound characteristics
| Compound ID: | P047-0469 |
| Compound Name: | 2-[(2-chloro-4-fluorophenyl)methyl]-6-(thiomorpholine-4-sulfonyl)[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one |
| Molecular Weight: | 442.92 |
| Molecular Formula: | C17 H16 Cl F N4 O3 S2 |
| Smiles: | C1CSCCN1S(C1C=CC2=NN(Cc3ccc(cc3[Cl])F)C(N2C=1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.664 |
| logD: | 2.6639 |
| logSw: | -3.3404 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 64.51 |
| InChI Key: | PKGUJVNVBZCCFR-UHFFFAOYSA-N |