2-(methylsulfanyl)-7-[3-(trifluoromethoxy)phenyl]pyrido[3,4-e][1,2,4]triazolo[1,5-a]pyrimidin-6(7H)-one
Chemical Structure Depiction of
2-(methylsulfanyl)-7-[3-(trifluoromethoxy)phenyl]pyrido[3,4-e][1,2,4]triazolo[1,5-a]pyrimidin-6(7H)-one
2-(methylsulfanyl)-7-[3-(trifluoromethoxy)phenyl]pyrido[3,4-e][1,2,4]triazolo[1,5-a]pyrimidin-6(7H)-one
Compound characteristics
| Compound ID: | D718-1022 |
| Compound Name: | 2-(methylsulfanyl)-7-[3-(trifluoromethoxy)phenyl]pyrido[3,4-e][1,2,4]triazolo[1,5-a]pyrimidin-6(7H)-one |
| Molecular Weight: | 393.34 |
| Molecular Formula: | C16 H10 F3 N5 O2 S |
| Smiles: | CSc1nc2N=CC3=C(C=CN(C3=O)c3cccc(c3)OC(F)(F)F)n2n1 |
| Stereo: | ACHIRAL |
| logP: | 3.3944 |
| logD: | 3.3944 |
| logSw: | -3.9207 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.022 |
| InChI Key: | BNMZKWXVYKGKPC-UHFFFAOYSA-N |