2-[2-cyano-3-(2-methoxy-4-nitroanilino)-3-oxoprop-1-en-1-yl]phenyl 4-methoxybenzoate
Chemical Structure Depiction of
2-[2-cyano-3-(2-methoxy-4-nitroanilino)-3-oxoprop-1-en-1-yl]phenyl 4-methoxybenzoate
2-[2-cyano-3-(2-methoxy-4-nitroanilino)-3-oxoprop-1-en-1-yl]phenyl 4-methoxybenzoate
Compound characteristics
| Compound ID: | 8013-9605 |
| Compound Name: | 2-[2-cyano-3-(2-methoxy-4-nitroanilino)-3-oxoprop-1-en-1-yl]phenyl 4-methoxybenzoate |
| Molecular Weight: | 473.44 |
| Molecular Formula: | C25 H19 N3 O7 |
| Smiles: | COc1ccc(cc1)C(=O)Oc1ccccc1\C=C(/C#N)C(Nc1ccc(cc1OC)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5532 |
| logD: | 3.0038 |
| logSw: | -4.51 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 108.708 |
| InChI Key: | UDXSNOHQBBDGDP-UHFFFAOYSA-N |