3-(4-ethylphenyl)-6-{[3-(4-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-(4-ethylphenyl)-6-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
3-(4-ethylphenyl)-6-{[3-(4-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: | F830-0575 |
| Compound Name: | 3-(4-ethylphenyl)-6-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one |
| Molecular Weight: | 429.44 |
| Molecular Formula: | C22 H19 N7 O3 |
| Smiles: | CCc1ccc(cc1)n1c2c(C(N(Cc3nc(c4ccc(cc4)OC)no3)C=N2)=O)nn1 |
| Stereo: | ACHIRAL |
| logP: | 3.6779 |
| logD: | 3.6779 |
| logSw: | -3.8723 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 92.045 |
| InChI Key: | SPKPTWMMAVQHRE-UHFFFAOYSA-N |