2-{[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)phenyl]methylidene}-4-[(3-methylphenyl)methyl]-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
2-{[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)phenyl]methylidene}-4-[(3-methylphenyl)methyl]-2H-1,4-benzoxazin-3(4H)-one
2-{[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)phenyl]methylidene}-4-[(3-methylphenyl)methyl]-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | C700-0300 |
| Compound Name: | 2-{[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)phenyl]methylidene}-4-[(3-methylphenyl)methyl]-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 500.6 |
| Molecular Formula: | C33 H28 N2 O3 |
| Smiles: | Cc1cccc(CN2C(/C(=C\c3ccc(cc3)C(N3CCc4ccccc4C3)=O)Oc3ccccc23)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 6.4425 |
| logD: | 6.4425 |
| logSw: | -5.6543 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.343 |
| InChI Key: | KTJAUMHGBNJFOC-UHFFFAOYSA-N |