N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | Y042-5277 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide |
| Molecular Weight: | 378.43 |
| Molecular Formula: | C22 H22 N2 O4 |
| Smiles: | CC(C)CN1C=C(C(Nc2ccc3c(c2)OCCO3)=O)c2ccccc2C1=O |
| Stereo: | ACHIRAL |
| logP: | 2.4535 |
| logD: | 2.4214 |
| logSw: | -3.1447 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.386 |
| InChI Key: | FOXBPXMGJZAEFL-UHFFFAOYSA-N |