N-(4-ethyl-2-{4-[2-(3-nitroanilino)-2-oxoethyl]-3-oxo-3,4-dihydroquinoxalin-2-yl}phenyl)propanamide
Chemical Structure Depiction of
N-(4-ethyl-2-{4-[2-(3-nitroanilino)-2-oxoethyl]-3-oxo-3,4-dihydroquinoxalin-2-yl}phenyl)propanamide
N-(4-ethyl-2-{4-[2-(3-nitroanilino)-2-oxoethyl]-3-oxo-3,4-dihydroquinoxalin-2-yl}phenyl)propanamide
Compound characteristics
| Compound ID: | D395-0245 |
| Compound Name: | N-(4-ethyl-2-{4-[2-(3-nitroanilino)-2-oxoethyl]-3-oxo-3,4-dihydroquinoxalin-2-yl}phenyl)propanamide |
| Molecular Weight: | 499.53 |
| Molecular Formula: | C27 H25 N5 O5 |
| Smiles: | CCC(Nc1ccc(CC)cc1C1C(N(CC(Nc2cccc(c2)[N+]([O-])=O)=O)c2ccccc2N=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9533 |
| logD: | 3.9525 |
| logSw: | -3.9838 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 102.161 |
| InChI Key: | UEAHEQRNOMSDQK-UHFFFAOYSA-N |