2-{[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)phenyl]methylidene}-4-[(2-fluorophenyl)methyl]-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
2-{[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)phenyl]methylidene}-4-[(2-fluorophenyl)methyl]-2H-1,4-benzoxazin-3(4H)-one
2-{[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)phenyl]methylidene}-4-[(2-fluorophenyl)methyl]-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | C307-0101 |
| Compound Name: | 2-{[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)phenyl]methylidene}-4-[(2-fluorophenyl)methyl]-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 504.56 |
| Molecular Formula: | C32 H25 F N2 O3 |
| Smiles: | C1CN(Cc2ccccc12)C(c1ccc(/C=C2/C(N(Cc3ccccc3F)c3ccccc3O2)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9363 |
| logD: | 5.9363 |
| logSw: | -6.0749 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.343 |
| InChI Key: | ANLKYOHAHUHSPJ-UHFFFAOYSA-N |