3-[4-(3,4-dihydroisoquinolin-2(1H)-yl)-4-oxobutyl]-1-[(3-nitrophenyl)methyl]quinazoline-2,4(1H,3H)-dione
Chemical Structure Depiction of
3-[4-(3,4-dihydroisoquinolin-2(1H)-yl)-4-oxobutyl]-1-[(3-nitrophenyl)methyl]quinazoline-2,4(1H,3H)-dione
3-[4-(3,4-dihydroisoquinolin-2(1H)-yl)-4-oxobutyl]-1-[(3-nitrophenyl)methyl]quinazoline-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | C260-1483 |
| Compound Name: | 3-[4-(3,4-dihydroisoquinolin-2(1H)-yl)-4-oxobutyl]-1-[(3-nitrophenyl)methyl]quinazoline-2,4(1H,3H)-dione |
| Molecular Weight: | 498.54 |
| Molecular Formula: | C28 H26 N4 O5 |
| Smiles: | C(CC(N1CCc2ccccc2C1)=O)CN1C(c2ccccc2N(Cc2cccc(c2)[N+]([O-])=O)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7838 |
| logD: | 3.7838 |
| logSw: | -4.0989 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 80.681 |
| InChI Key: | WRJRONULEXMRPP-UHFFFAOYSA-N |