2-[3-(2-chloro-5-nitroanilino)-2-cyano-3-oxoprop-1-en-1-yl]phenyl 4-methoxybenzoate
Chemical Structure Depiction of
2-[3-(2-chloro-5-nitroanilino)-2-cyano-3-oxoprop-1-en-1-yl]phenyl 4-methoxybenzoate
2-[3-(2-chloro-5-nitroanilino)-2-cyano-3-oxoprop-1-en-1-yl]phenyl 4-methoxybenzoate
Compound characteristics
| Compound ID: | Y505-4518 |
| Compound Name: | 2-[3-(2-chloro-5-nitroanilino)-2-cyano-3-oxoprop-1-en-1-yl]phenyl 4-methoxybenzoate |
| Molecular Weight: | 477.86 |
| Molecular Formula: | C24 H16 Cl N3 O6 |
| Smiles: | COc1ccc(cc1)C(=O)Oc1ccccc1\C=C(/C#N)C(Nc1cc(ccc1[Cl])[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9339 |
| logD: | 3.2592 |
| logSw: | -5.3103 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 101.078 |
| InChI Key: | QKCWLCRMEGTZOU-UHFFFAOYSA-N |