3-benzyl-6-{[3-(4-ethoxy-3-methoxyphenyl)-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-benzyl-6-{[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
3-benzyl-6-{[3-(4-ethoxy-3-methoxyphenyl)-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: | F830-0029 |
| Compound Name: | 3-benzyl-6-{[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one |
| Molecular Weight: | 459.46 |
| Molecular Formula: | C23 H21 N7 O4 |
| Smiles: | CCOc1ccc(cc1OC)c1nc(CN2C=Nc3c(C2=O)nnn3Cc2ccccc2)on1 |
| Stereo: | ACHIRAL |
| logP: | 2.6256 |
| logD: | 2.6256 |
| logSw: | -3.0013 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 99.206 |
| InChI Key: | QIIZQXPHMYYXEN-UHFFFAOYSA-N |