ethyl 3-[(8-methoxy-6-nitro-2-oxo-2H-1-benzopyran-3-carbonyl)amino]-3-(3-nitrophenyl)propanoate
Chemical Structure Depiction of
ethyl 3-[(8-methoxy-6-nitro-2-oxo-2H-1-benzopyran-3-carbonyl)amino]-3-(3-nitrophenyl)propanoate
ethyl 3-[(8-methoxy-6-nitro-2-oxo-2H-1-benzopyran-3-carbonyl)amino]-3-(3-nitrophenyl)propanoate
Compound characteristics
| Compound ID: | 8013-3846 |
| Compound Name: | ethyl 3-[(8-methoxy-6-nitro-2-oxo-2H-1-benzopyran-3-carbonyl)amino]-3-(3-nitrophenyl)propanoate |
| Molecular Weight: | 485.41 |
| Molecular Formula: | C22 H19 N3 O10 |
| Smiles: | CCOC(CC(c1cccc(c1)[N+]([O-])=O)NC(C1=Cc2cc(cc(c2OC1=O)OC)[N+]([O-])=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0359 |
| logD: | 3.0263 |
| logSw: | -3.4344 |
| Hydrogen bond acceptors count: | 17 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 139.44 |
| InChI Key: | OIIZMUAIVUKMBT-KRWDZBQOSA-N |