6-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2H-1,4-benzoxazin-3(4H)-one
6-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | G373-2998 |
| Compound Name: | 6-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 419.48 |
| Molecular Formula: | C24 H25 N3 O4 |
| Smiles: | C1CCN(C1)C(CN1C(COc2ccc(cc12)C(N1CCc2ccccc2C1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6619 |
| logD: | 1.6619 |
| logSw: | -2.1908 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.137 |
| InChI Key: | XNGZSTDHKWIEPC-UHFFFAOYSA-N |