N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methylbutyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methylbutyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methylbutyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | Y042-5570 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methylbutyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide |
| Molecular Weight: | 392.45 |
| Molecular Formula: | C23 H24 N2 O4 |
| Smiles: | CC(C)CCN1C=C(C(Nc2ccc3c(c2)OCCO3)=O)c2ccccc2C1=O |
| Stereo: | ACHIRAL |
| logP: | 2.8696 |
| logD: | 2.8375 |
| logSw: | -3.5495 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.364 |
| InChI Key: | XDDDZKIYTNRBDE-UHFFFAOYSA-N |