3-[(4-methylphenyl)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-methylphenyl)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-methylphenyl)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: | F830-0228 |
| Compound Name: | 3-[(4-methylphenyl)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: | 489.49 |
| Molecular Formula: | C24 H23 N7 O5 |
| Smiles: | Cc1ccc(Cn2c3c(C(N(Cc4nc(c5cc(c(c(c5)OC)OC)OC)no4)C=N3)=O)nn2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.5633 |
| logD: | 2.5633 |
| logSw: | -2.9157 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 107.343 |
| InChI Key: | JYUQJYPEJPDENS-UHFFFAOYSA-N |