methyl 4-{2-[2-(3-nitrophenyl)ethenyl]-4-oxoquinazolin-3(4H)-yl}benzoate
Chemical Structure Depiction of
methyl 4-{2-[2-(3-nitrophenyl)ethenyl]-4-oxoquinazolin-3(4H)-yl}benzoate
methyl 4-{2-[2-(3-nitrophenyl)ethenyl]-4-oxoquinazolin-3(4H)-yl}benzoate
Compound characteristics
| Compound ID: | K505-0057 |
| Compound Name: | methyl 4-{2-[2-(3-nitrophenyl)ethenyl]-4-oxoquinazolin-3(4H)-yl}benzoate |
| Molecular Weight: | 427.42 |
| Molecular Formula: | C24 H17 N3 O5 |
| Smiles: | COC(c1ccc(cc1)N1C(/C=C/c2cccc(c2)[N+]([O-])=O)=Nc2ccccc2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0943 |
| logD: | 4.094 |
| logSw: | -4.4624 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 79.149 |
| InChI Key: | HGMIJBNHPPEIJM-UHFFFAOYSA-N |