N-(4-{[2-(2H-1,3-benzodioxol-5-yl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]oxy}phenyl)-1-oxo-4-phenyl-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)-1-oxo-4-phenyl-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)-1-oxo-4-phenyl-1H-2-benzopyran-3-carboxamide
Compound characteristics
| Compound ID: | K953-0293 |
| Compound Name: | N-(4-{[2-(2H-1,3-benzodioxol-5-yl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]oxy}phenyl)-1-oxo-4-phenyl-1H-2-benzopyran-3-carboxamide |
| Molecular Weight: | 622.59 |
| Molecular Formula: | C37 H22 N2 O8 |
| Smiles: | C1Oc2ccc(cc2O1)N1C(c2ccc(cc2C1=O)Oc1ccc(cc1)NC(C1=C(c2ccccc2)c2ccccc2C(=O)O1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.4725 |
| logD: | 6.4724 |
| logSw: | -6.1807 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.564 |
| InChI Key: | TXZQXSRSKRWQTF-UHFFFAOYSA-N |