6-{[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-[(3-methylphenyl)methyl]-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
Chemical Structure Depiction of
6-{[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-[(3-methylphenyl)methyl]-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
6-{[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-[(3-methylphenyl)methyl]-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
Compound characteristics
| Compound ID: | F830-0299 |
| Compound Name: | 6-{[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-[(3-methylphenyl)methyl]-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one |
| Molecular Weight: | 473.49 |
| Molecular Formula: | C24 H23 N7 O4 |
| Smiles: | CCOc1ccc(cc1OC)c1nc(CN2C=Nc3c(C2=O)nnn3Cc2cccc(C)c2)on1 |
| Stereo: | ACHIRAL |
| logP: | 3.2722 |
| logD: | 3.2722 |
| logSw: | -3.1493 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 99.206 |
| InChI Key: | BUQRGNVTGKEUFB-UHFFFAOYSA-N |