4-[2-(4-methoxyanilino)-3,5-dinitrobenzoyl]-3,4-dihydroquinoxalin-2(1H)-one
Chemical Structure Depiction of
4-[2-(4-methoxyanilino)-3,5-dinitrobenzoyl]-3,4-dihydroquinoxalin-2(1H)-one
4-[2-(4-methoxyanilino)-3,5-dinitrobenzoyl]-3,4-dihydroquinoxalin-2(1H)-one
Compound characteristics
| Compound ID: | 0647-0018 |
| Compound Name: | 4-[2-(4-methoxyanilino)-3,5-dinitrobenzoyl]-3,4-dihydroquinoxalin-2(1H)-one |
| Molecular Weight: | 463.41 |
| Molecular Formula: | C22 H17 N5 O7 |
| Smiles: | COc1ccc(cc1)Nc1c(cc(cc1[N+]([O-])=O)[N+]([O-])=O)C(N1CC(Nc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2073 |
| logD: | 3.2072 |
| logSw: | -3.7334 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 121.908 |
| InChI Key: | ZQKRNENVTCTQSM-UHFFFAOYSA-N |