N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-4-({4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzamide
Chemical Structure Depiction of
N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-4-({4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzamide
N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-4-({4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzamide
Compound characteristics
| Compound ID: | C700-0298 |
| Compound Name: | N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-4-({4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzamide |
| Molecular Weight: | 557.69 |
| Molecular Formula: | C36 H35 N3 O3 |
| Smiles: | Cc1cccc(CN2C(/C(=C\c3ccc(cc3)C(NCCCN3CCc4ccccc4C3)=O)Oc3ccccc23)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 6.41 |
| logD: | 5.2602 |
| logSw: | -5.5424 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.932 |
| InChI Key: | GGAFUZOFPMKYJW-UHFFFAOYSA-N |