4-[4-(4-ethoxyanilino)-3,5-dinitrobenzoyl]-3,4-dihydroquinoxalin-2(1H)-one
Chemical Structure Depiction of
4-[4-(4-ethoxyanilino)-3,5-dinitrobenzoyl]-3,4-dihydroquinoxalin-2(1H)-one
4-[4-(4-ethoxyanilino)-3,5-dinitrobenzoyl]-3,4-dihydroquinoxalin-2(1H)-one
Compound characteristics
Compound ID: | 4155-0444 |
Compound Name: | 4-[4-(4-ethoxyanilino)-3,5-dinitrobenzoyl]-3,4-dihydroquinoxalin-2(1H)-one |
Molecular Weight: | 477.43 |
Molecular Formula: | C23 H19 N5 O7 |
Smiles: | CCOc1ccc(cc1)Nc1c(cc(cc1[N+]([O-])=O)C(N1CC(Nc2ccccc12)=O)=O)[N+]([O-])=O |
Stereo: | ACHIRAL |
logP: | 3.6112 |
logD: | 3.6111 |
logSw: | -3.8615 |
Hydrogen bond acceptors count: | 13 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 121.187 |
InChI Key: | HRGKLTGEBIZWIN-UHFFFAOYSA-N |