6-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-4-[(4-fluorophenyl)methyl]-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-4-[(4-fluorophenyl)methyl]-2H-1,4-benzoxazin-3(4H)-one
6-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-4-[(4-fluorophenyl)methyl]-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | F119-0940 |
| Compound Name: | 6-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-4-[(4-fluorophenyl)methyl]-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 416.45 |
| Molecular Formula: | C25 H21 F N2 O3 |
| Smiles: | C1CN(Cc2ccccc12)C(c1ccc2c(c1)N(Cc1ccc(cc1)F)C(CO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5756 |
| logD: | 3.5756 |
| logSw: | -3.7336 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.378 |
| InChI Key: | XGHHNNGMGMYNOR-UHFFFAOYSA-N |