6-{[3-(2H-1,3-benzodioxol-5-yl)-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-(2H-1,3-benzodioxol-5-yl)-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-(2H-1,3-benzodioxol-5-yl)-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: | F830-0039 |
| Compound Name: | 6-{[3-(2H-1,3-benzodioxol-5-yl)-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: | 443.42 |
| Molecular Formula: | C22 H17 N7 O4 |
| Smiles: | Cc1ccccc1Cn1c2c(C(N(Cc3nc(c4ccc5c(c4)OCO5)no3)C=N2)=O)nn1 |
| Stereo: | ACHIRAL |
| logP: | 3.3692 |
| logD: | 3.3691 |
| logSw: | -3.4282 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 101.48 |
| InChI Key: | GFOBOUJPMOUBAP-UHFFFAOYSA-N |