ethyl 5-{[(1-nitro-9,10-dioxo-9,10-dihydroanthracene-2-carbonyl)amino]methyl}furan-2-carboxylate
Chemical Structure Depiction of
ethyl 5-{[(1-nitro-9,10-dioxo-9,10-dihydroanthracene-2-carbonyl)amino]methyl}furan-2-carboxylate
ethyl 5-{[(1-nitro-9,10-dioxo-9,10-dihydroanthracene-2-carbonyl)amino]methyl}furan-2-carboxylate
Compound characteristics
| Compound ID: | 8018-7129 |
| Compound Name: | ethyl 5-{[(1-nitro-9,10-dioxo-9,10-dihydroanthracene-2-carbonyl)amino]methyl}furan-2-carboxylate |
| Molecular Weight: | 448.39 |
| Molecular Formula: | C23 H16 N2 O8 |
| Smiles: | CCOC(c1ccc(CNC(c2ccc3C(c4ccccc4C(c3c2[N+]([O-])=O)=O)=O)=O)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7831 |
| logD: | 4.7314 |
| logSw: | -4.7733 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 111.968 |
| InChI Key: | GNRGLGOMAYTVGJ-UHFFFAOYSA-N |