N-(2-cyano-4,5-diethoxyphenyl)-1-nitro-9,10-dioxo-9,10-dihydroanthracene-2-carboxamide
Chemical Structure Depiction of
N-(2-cyano-4,5-diethoxyphenyl)-1-nitro-9,10-dioxo-9,10-dihydroanthracene-2-carboxamide
N-(2-cyano-4,5-diethoxyphenyl)-1-nitro-9,10-dioxo-9,10-dihydroanthracene-2-carboxamide
Compound characteristics
| Compound ID: | 8015-1161 |
| Compound Name: | N-(2-cyano-4,5-diethoxyphenyl)-1-nitro-9,10-dioxo-9,10-dihydroanthracene-2-carboxamide |
| Molecular Weight: | 485.45 |
| Molecular Formula: | C26 H19 N3 O7 |
| Smiles: | CCOc1cc(C#N)c(cc1OCC)NC(c1ccc2C(c3ccccc3C(c2c1[N+]([O-])=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2948 |
| logD: | 0.8451 |
| logSw: | -4.5556 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 112.83 |
| InChI Key: | QLOZKMKIKSLXME-UHFFFAOYSA-N |