N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-3-(3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)propanamide
Chemical Structure Depiction of
N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-3-(3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)propanamide
N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-3-(3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)propanamide
Compound characteristics
| Compound ID: | K786-6158 |
| Compound Name: | N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-3-(3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)propanamide |
| Molecular Weight: | 379.46 |
| Molecular Formula: | C22 H25 N3 O3 |
| Smiles: | C(CN1C(COc2ccccc12)=O)C(NCCN1CCc2ccccc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7085 |
| logD: | 1.2721 |
| logSw: | -2.1326 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.004 |
| InChI Key: | JTCXKRPNGDXJOM-UHFFFAOYSA-N |