ethyl 3-[(1-nitro-9,10-dioxo-9,10-dihydroanthracene-2-carbonyl)amino]-3-(3-nitrophenyl)propanoate
Chemical Structure Depiction of
ethyl 3-[(1-nitro-9,10-dioxo-9,10-dihydroanthracene-2-carbonyl)amino]-3-(3-nitrophenyl)propanoate
ethyl 3-[(1-nitro-9,10-dioxo-9,10-dihydroanthracene-2-carbonyl)amino]-3-(3-nitrophenyl)propanoate
Compound characteristics
| Compound ID: | 8015-0094 |
| Compound Name: | ethyl 3-[(1-nitro-9,10-dioxo-9,10-dihydroanthracene-2-carbonyl)amino]-3-(3-nitrophenyl)propanoate |
| Molecular Weight: | 517.45 |
| Molecular Formula: | C26 H19 N3 O9 |
| Smiles: | CCOC(CC(c1cccc(c1)[N+]([O-])=O)NC(c1ccc2C(c3ccccc3C(c2c1[N+]([O-])=O)=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.05 |
| logD: | 4.597 |
| logSw: | -4.8228 |
| Hydrogen bond acceptors count: | 17 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 136.544 |
| InChI Key: | KHFAOKSEIIDXEN-FQEVSTJZSA-N |