4-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-6-(piperidine-1-carbonyl)-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
4-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-6-(piperidine-1-carbonyl)-2H-1,4-benzoxazin-3(4H)-one
4-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-6-(piperidine-1-carbonyl)-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | F118-0205 |
| Compound Name: | 4-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-6-(piperidine-1-carbonyl)-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 433.51 |
| Molecular Formula: | C25 H27 N3 O4 |
| Smiles: | C1CCN(CC1)C(c1ccc2c(c1)N(CC(N1CCc3ccccc3C1)=O)C(CO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9691 |
| logD: | 1.9691 |
| logSw: | -2.5753 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 56.771 |
| InChI Key: | FFPIGUKRKJJMBR-UHFFFAOYSA-N |