methyl 2-[1-{[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl]benzoate
Chemical Structure Depiction of
methyl 2-[1-{[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl]benzoate
methyl 2-[1-{[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl]benzoate
Compound characteristics
| Compound ID: | L110-0955 |
| Compound Name: | methyl 2-[1-{[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl]benzoate |
| Molecular Weight: | 498.45 |
| Molecular Formula: | C26 H18 N4 O7 |
| Smiles: | COC(c1ccccc1N1C(c2ccccc2N(Cc2nc(c3ccc4c(c3)OCO4)no2)C1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9045 |
| logD: | 3.9045 |
| logSw: | -4.0846 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 99.987 |
| InChI Key: | ICBUMXGOXIGQHL-UHFFFAOYSA-N |