2-[2-(3-methylbutyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]-4-oxo-4H-3,1-benzoxazin-6-yl acetate
Chemical Structure Depiction of
2-[2-(3-methylbutyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]-4-oxo-4H-3,1-benzoxazin-6-yl acetate
2-[2-(3-methylbutyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]-4-oxo-4H-3,1-benzoxazin-6-yl acetate
Compound characteristics
| Compound ID: | 4334-1582 |
| Compound Name: | 2-[2-(3-methylbutyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]-4-oxo-4H-3,1-benzoxazin-6-yl acetate |
| Molecular Weight: | 420.42 |
| Molecular Formula: | C23 H20 N2 O6 |
| Smiles: | CC(C)CCN1C(c2ccc(cc2C1=O)C1=Nc2ccc(cc2C(=O)O1)OC(C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0807 |
| logD: | 3.0807 |
| logSw: | -3.4564 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 80.439 |
| InChI Key: | YTEURNISBBXZNS-UHFFFAOYSA-N |