4-benzyl-6-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
4-benzyl-6-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-2H-1,4-benzoxazin-3(4H)-one
4-benzyl-6-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | F119-0058 |
| Compound Name: | 4-benzyl-6-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 398.46 |
| Molecular Formula: | C25 H22 N2 O3 |
| Smiles: | C1CN(Cc2ccccc12)C(c1ccc2c(c1)N(Cc1ccccc1)C(CO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5466 |
| logD: | 3.5466 |
| logSw: | -3.6997 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.378 |
| InChI Key: | ABVJFOAPGGZILL-UHFFFAOYSA-N |