6-{[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-[(2-methylphenyl)methyl]-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
Chemical Structure Depiction of
6-{[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-[(2-methylphenyl)methyl]-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
6-{[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-[(2-methylphenyl)methyl]-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
Compound characteristics
| Compound ID: | F830-0042 |
| Compound Name: | 6-{[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-[(2-methylphenyl)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: | Cc1ccccc1Cn1c2c(C(N(Cc3nc(c4ccc(c(c4)OC)OC)no3)C=N2)=O)nn1 |
| Stereo: | ACHIRAL |
| logP: | 3.071 |
| logD: | 3.0709 |
| logSw: | -3.0931 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 99.626 |
| InChI Key: | MXHPDXREPWCNEX-UHFFFAOYSA-N |