3-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxopropyl]-1-[(3-nitrophenyl)methyl]quinazoline-2,4(1H,3H)-dione
Chemical Structure Depiction of
3-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxopropyl]-1-[(3-nitrophenyl)methyl]quinazoline-2,4(1H,3H)-dione
3-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxopropyl]-1-[(3-nitrophenyl)methyl]quinazoline-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | C260-1137 |
| Compound Name: | 3-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxopropyl]-1-[(3-nitrophenyl)methyl]quinazoline-2,4(1H,3H)-dione |
| Molecular Weight: | 484.51 |
| Molecular Formula: | C27 H24 N4 O5 |
| Smiles: | C(CN1C(c2ccccc2N(Cc2cccc(c2)[N+]([O-])=O)C1=O)=O)C(N1CCc2ccccc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7776 |
| logD: | 3.7776 |
| logSw: | -4.1584 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 80.681 |
| InChI Key: | DXNVHQKJOWGGBH-UHFFFAOYSA-N |