4-[(4-chlorophenyl)methyl]-2-{[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)phenyl]methylidene}-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
4-[(4-chlorophenyl)methyl]-2-{[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)phenyl]methylidene}-2H-1,4-benzoxazin-3(4H)-one
4-[(4-chlorophenyl)methyl]-2-{[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)phenyl]methylidene}-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | K788-6835 |
| Compound Name: | 4-[(4-chlorophenyl)methyl]-2-{[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)phenyl]methylidene}-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 521.02 |
| Molecular Formula: | C32 H25 Cl N2 O3 |
| Smiles: | C1CN(Cc2ccccc12)C(c1ccc(/C=C2/C(N(Cc3ccc(cc3)[Cl])c3ccccc3O2)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.3907 |
| logD: | 6.3907 |
| logSw: | -6.4848 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.343 |
| InChI Key: | UCAPYIHLSVFUNI-UHFFFAOYSA-N |