6-{[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]methyl}-3-{[3-(trifluoromethyl)phenyl]methyl}-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
Chemical Structure Depiction of
6-{[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]methyl}-3-{[3-(trifluoromethyl)phenyl]methyl}-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
6-{[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]methyl}-3-{[3-(trifluoromethyl)phenyl]methyl}-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
Compound characteristics
| Compound ID: | F830-0354 |
| Compound Name: | 6-{[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]methyl}-3-{[3-(trifluoromethyl)phenyl]methyl}-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one |
| Molecular Weight: | 459.41 |
| Molecular Formula: | C19 H12 F3 N7 O2 S |
| Smiles: | C(c1nc(c2cccs2)no1)N1C=Nc2c(C1=O)nnn2Cc1cccc(c1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 3.0758 |
| logD: | 3.0758 |
| logSw: | -3.2888 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 85.383 |
| InChI Key: | SVZACSQVBOYXBA-UHFFFAOYSA-N |