N-[2-(3,4-dimethoxyphenyl)ethyl]-1-nitro-9,10-dioxo-9,10-dihydroanthracene-2-carboxamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-nitro-9,10-dioxo-9,10-dihydroanthracene-2-carboxamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-nitro-9,10-dioxo-9,10-dihydroanthracene-2-carboxamide
Compound characteristics
| Compound ID: | 8013-3113 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-1-nitro-9,10-dioxo-9,10-dihydroanthracene-2-carboxamide |
| Molecular Weight: | 460.44 |
| Molecular Formula: | C25 H20 N2 O7 |
| Smiles: | COc1ccc(CCNC(c2ccc3C(c4ccccc4C(c3c2[N+]([O-])=O)=O)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 4.1254 |
| logD: | 4.1238 |
| logSw: | -4.6042 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.476 |
| InChI Key: | FOSTWFJBUNCUPQ-UHFFFAOYSA-N |