3-(3,4-dimethylphenyl)-6-{[3-(4-fluorophenyl)-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-(3,4-dimethylphenyl)-6-{[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
3-(3,4-dimethylphenyl)-6-{[3-(4-fluorophenyl)-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: | F830-0707 |
| Compound Name: | 3-(3,4-dimethylphenyl)-6-{[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one |
| Molecular Weight: | 417.4 |
| Molecular Formula: | C21 H16 F N7 O2 |
| Smiles: | Cc1ccc(cc1C)n1c2c(C(N(Cc3nc(c4ccc(cc4)F)no3)C=N2)=O)nn1 |
| Stereo: | ACHIRAL |
| logP: | 3.9215 |
| logD: | 3.9215 |
| logSw: | -3.9617 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 84.501 |
| InChI Key: | QXTBUPSXUXGOEQ-UHFFFAOYSA-N |