methyl 3-(3,4-dihydroquinoline-1(2H)-carbonyl)-5-nitrobenzoate
Chemical Structure Depiction of
methyl 3-(3,4-dihydroquinoline-1(2H)-carbonyl)-5-nitrobenzoate
methyl 3-(3,4-dihydroquinoline-1(2H)-carbonyl)-5-nitrobenzoate
Compound characteristics
| Compound ID: | Y032-0071 |
| Compound Name: | methyl 3-(3,4-dihydroquinoline-1(2H)-carbonyl)-5-nitrobenzoate |
| Molecular Weight: | 340.33 |
| Molecular Formula: | C18 H16 N2 O5 |
| Smiles: | COC(c1cc(cc(c1)[N+]([O-])=O)C(N1CCCc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5598 |
| logD: | 3.5598 |
| logSw: | -3.7377 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.107 |
| InChI Key: | KNBONNIXFAAKLE-UHFFFAOYSA-N |