7-[4-chloro-3-(trifluoromethyl)phenyl]-2-(methylsulfanyl)pyrido[3,4-e][1,2,4]triazolo[1,5-a]pyrimidin-6(7H)-one
Chemical Structure Depiction of
7-[4-chloro-3-(trifluoromethyl)phenyl]-2-(methylsulfanyl)pyrido[3,4-e][1,2,4]triazolo[1,5-a]pyrimidin-6(7H)-one
7-[4-chloro-3-(trifluoromethyl)phenyl]-2-(methylsulfanyl)pyrido[3,4-e][1,2,4]triazolo[1,5-a]pyrimidin-6(7H)-one
Compound characteristics
| Compound ID: | D718-1029 |
| Compound Name: | 7-[4-chloro-3-(trifluoromethyl)phenyl]-2-(methylsulfanyl)pyrido[3,4-e][1,2,4]triazolo[1,5-a]pyrimidin-6(7H)-one |
| Molecular Weight: | 411.79 |
| Molecular Formula: | C16 H9 Cl F3 N5 O S |
| Smiles: | CSc1nc2N=CC3=C(C=CN(C3=O)c3ccc(c(c3)C(F)(F)F)[Cl])n2n1 |
| Stereo: | ACHIRAL |
| logP: | 3.5484 |
| logD: | 3.5484 |
| logSw: | -4.0211 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.085 |
| InChI Key: | KQQDFKKKJVDOON-UHFFFAOYSA-N |