2-(3-methylbutyl)-1,3-dioxo-N-(2-oxo-2H-1-benzopyran-6-yl)-2,3-dihydro-1H-isoindole-5-carboxamide
Chemical Structure Depiction of
2-(3-methylbutyl)-1,3-dioxo-N-(2-oxo-2H-1-benzopyran-6-yl)-2,3-dihydro-1H-isoindole-5-carboxamide
2-(3-methylbutyl)-1,3-dioxo-N-(2-oxo-2H-1-benzopyran-6-yl)-2,3-dihydro-1H-isoindole-5-carboxamide
Compound characteristics
| Compound ID: | Y042-3596 |
| Compound Name: | 2-(3-methylbutyl)-1,3-dioxo-N-(2-oxo-2H-1-benzopyran-6-yl)-2,3-dihydro-1H-isoindole-5-carboxamide |
| Molecular Weight: | 404.42 |
| Molecular Formula: | C23 H20 N2 O5 |
| Smiles: | CC(C)CCN1C(c2ccc(cc2C1=O)C(Nc1ccc2c(C=CC(=O)O2)c1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5014 |
| logD: | 3.4981 |
| logSw: | -3.7155 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.24 |
| InChI Key: | JQBAPSDRGBBONK-UHFFFAOYSA-N |