2-bromo-4-[2-cyano-3-(2-methoxy-4-nitroanilino)-3-oxoprop-1-en-1-yl]-6-ethoxyphenyl 4-methoxybenzoate
Chemical Structure Depiction of
2-bromo-4-[2-cyano-3-(2-methoxy-4-nitroanilino)-3-oxoprop-1-en-1-yl]-6-ethoxyphenyl 4-methoxybenzoate
2-bromo-4-[2-cyano-3-(2-methoxy-4-nitroanilino)-3-oxoprop-1-en-1-yl]-6-ethoxyphenyl 4-methoxybenzoate
Compound characteristics
| Compound ID: | 8013-9609 |
| Compound Name: | 2-bromo-4-[2-cyano-3-(2-methoxy-4-nitroanilino)-3-oxoprop-1-en-1-yl]-6-ethoxyphenyl 4-methoxybenzoate |
| Molecular Weight: | 596.39 |
| Molecular Formula: | C27 H22 Br N3 O8 |
| Smiles: | CCOc1cc(\C=C(/C#N)C(Nc2ccc(cc2OC)[N+]([O-])=O)=O)cc(c1OC(c1ccc(cc1)OC)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 5.5574 |
| logD: | 3.7102 |
| logSw: | -5.4499 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 116.005 |
| InChI Key: | KPDMDEFSSJTYLI-UHFFFAOYSA-N |