N-[2-(3,4-diethoxyphenyl)ethyl]-1-nitro-9,10-dioxo-9,10-dihydroanthracene-2-carboxamide
Chemical Structure Depiction of
N-[2-(3,4-diethoxyphenyl)ethyl]-1-nitro-9,10-dioxo-9,10-dihydroanthracene-2-carboxamide
N-[2-(3,4-diethoxyphenyl)ethyl]-1-nitro-9,10-dioxo-9,10-dihydroanthracene-2-carboxamide
Compound characteristics
| Compound ID: | 8015-0111 |
| Compound Name: | N-[2-(3,4-diethoxyphenyl)ethyl]-1-nitro-9,10-dioxo-9,10-dihydroanthracene-2-carboxamide |
| Molecular Weight: | 488.5 |
| Molecular Formula: | C27 H24 N2 O7 |
| Smiles: | CCOc1ccc(CCNC(c2ccc3C(c4ccccc4C(c3c2[N+]([O-])=O)=O)=O)=O)cc1OCC |
| Stereo: | ACHIRAL |
| logP: | 4.6166 |
| logD: | 4.6151 |
| logSw: | -4.5461 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.635 |
| InChI Key: | MSOVIUCXBNSBBC-UHFFFAOYSA-N |