ethyl 4-{2-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-6-nitro-4-oxoquinazolin-3(4H)-yl}benzoate
Chemical Structure Depiction of
ethyl 4-{2-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-6-nitro-4-oxoquinazolin-3(4H)-yl}benzoate
ethyl 4-{2-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-6-nitro-4-oxoquinazolin-3(4H)-yl}benzoate
Compound characteristics
| Compound ID: | C284-0185 |
| Compound Name: | ethyl 4-{2-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-6-nitro-4-oxoquinazolin-3(4H)-yl}benzoate |
| Molecular Weight: | 484.51 |
| Molecular Formula: | C27 H24 N4 O5 |
| Smiles: | CCOC(c1ccc(cc1)N1C(CN2CCc3ccccc3C2)=Nc2ccc(cc2C1=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0637 |
| logD: | 4.0637 |
| logSw: | -4.0733 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 82.395 |
| InChI Key: | CHARMIZCTFTGOF-UHFFFAOYSA-N |