3-[(4-fluorophenyl)methyl]-6-{[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
Chemical Structure Depiction of
3-[(4-fluorophenyl)methyl]-6-{[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
3-[(4-fluorophenyl)methyl]-6-{[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
Compound characteristics
| Compound ID: | F830-0258 |
| Compound Name: | 3-[(4-fluorophenyl)methyl]-6-{[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one |
| Molecular Weight: | 493.45 |
| Molecular Formula: | C23 H20 F N7 O5 |
| Smiles: | COc1cc(cc(c1OC)OC)c1nc(CN2C=Nc3c(C2=O)nnn3Cc2ccc(cc2)F)on1 |
| Stereo: | ACHIRAL |
| logP: | 2.169 |
| logD: | 2.169 |
| logSw: | -2.8243 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 107.343 |
| InChI Key: | KABKPECNKVTKQU-UHFFFAOYSA-N |