4-[2-(3-ethylanilino)-3,5-dinitrobenzoyl]-3,4-dihydroquinoxalin-2(1H)-one
Chemical Structure Depiction of
4-[2-(3-ethylanilino)-3,5-dinitrobenzoyl]-3,4-dihydroquinoxalin-2(1H)-one
4-[2-(3-ethylanilino)-3,5-dinitrobenzoyl]-3,4-dihydroquinoxalin-2(1H)-one
Compound characteristics
| Compound ID: | 4155-0466 |
| Compound Name: | 4-[2-(3-ethylanilino)-3,5-dinitrobenzoyl]-3,4-dihydroquinoxalin-2(1H)-one |
| Molecular Weight: | 461.43 |
| Molecular Formula: | C23 H19 N5 O6 |
| Smiles: | CCc1cccc(c1)Nc1c(cc(cc1[N+]([O-])=O)[N+]([O-])=O)C(N1CC(Nc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0154 |
| logD: | 4.0153 |
| logSw: | -4.1987 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 114.364 |
| InChI Key: | OPEPXAWENDGSOG-UHFFFAOYSA-N |