N-(4-{[2-(2H-1,3-benzodioxol-5-yl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]oxy}phenyl)-4-(4-methylphenyl)-1-oxo-1H-2-benzopyran-3-carboxamide
Chemical Structure Depiction of
N-(4-{[2-(2H-1,3-benzodioxol-5-yl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]oxy}phenyl)-4-(4-methylphenyl)-1-oxo-1H-2-benzopyran-3-carboxamide
N-(4-{[2-(2H-1,3-benzodioxol-5-yl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]oxy}phenyl)-4-(4-methylphenyl)-1-oxo-1H-2-benzopyran-3-carboxamide
Compound characteristics
| Compound ID: | K953-0126 |
| Compound Name: | N-(4-{[2-(2H-1,3-benzodioxol-5-yl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]oxy}phenyl)-4-(4-methylphenyl)-1-oxo-1H-2-benzopyran-3-carboxamide |
| Molecular Weight: | 636.62 |
| Molecular Formula: | C38 H24 N2 O8 |
| Smiles: | Cc1ccc(cc1)C1=C(C(Nc2ccc(cc2)Oc2ccc3C(N(C(c3c2)=O)c2ccc3c(c2)OCO3)=O)=O)OC(c2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 7.0009 |
| logD: | 7.0009 |
| logSw: | -5.712 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.564 |
| InChI Key: | SYIJUEYJHXXLQA-UHFFFAOYSA-N |