7-(3-chloro-4-fluorophenyl)-2-(methylsulfanyl)pyrido[3,4-e][1,2,4]triazolo[1,5-a]pyrimidin-6(7H)-one
Chemical Structure Depiction of
7-(3-chloro-4-fluorophenyl)-2-(methylsulfanyl)pyrido[3,4-e][1,2,4]triazolo[1,5-a]pyrimidin-6(7H)-one
7-(3-chloro-4-fluorophenyl)-2-(methylsulfanyl)pyrido[3,4-e][1,2,4]triazolo[1,5-a]pyrimidin-6(7H)-one
Compound characteristics
Compound ID: | D718-1028 |
Compound Name: | 7-(3-chloro-4-fluorophenyl)-2-(methylsulfanyl)pyrido[3,4-e][1,2,4]triazolo[1,5-a]pyrimidin-6(7H)-one |
Molecular Weight: | 361.78 |
Molecular Formula: | C15 H9 Cl F N5 O S |
Smiles: | CSc1nc2N=CC3=C(C=CN(C3=O)c3ccc(c(c3)[Cl])F)n2n1 |
Stereo: | ACHIRAL |
logP: | 2.7016 |
logD: | 2.7016 |
logSw: | -3.4291 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 49.085 |
InChI Key: | HTZGHRDOCJYCOI-UHFFFAOYSA-N |