methyl 4-{[2-(4-nitrophenyl)quinazolin-4-yl]amino}benzoate
Chemical Structure Depiction of
methyl 4-{[2-(4-nitrophenyl)quinazolin-4-yl]amino}benzoate
methyl 4-{[2-(4-nitrophenyl)quinazolin-4-yl]amino}benzoate
Compound characteristics
Compound ID: | 4358-4601 |
Compound Name: | methyl 4-{[2-(4-nitrophenyl)quinazolin-4-yl]amino}benzoate |
Molecular Weight: | 400.39 |
Molecular Formula: | C22 H16 N4 O4 |
Smiles: | COC(c1ccc(cc1)Nc1c2ccccc2nc(c2ccc(cc2)[N+]([O-])=O)n1)=O |
Stereo: | ACHIRAL |
logP: | 6.0371 |
logD: | 5.9785 |
logSw: | -5.9721 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 82.361 |
InChI Key: | KQZMAQSXDRRROQ-UHFFFAOYSA-N |