4-[2-cyano-3-(2-methoxy-4-nitroanilino)-3-oxoprop-1-en-1-yl]phenyl 4-methoxybenzoate
Chemical Structure Depiction of
4-[2-cyano-3-(2-methoxy-4-nitroanilino)-3-oxoprop-1-en-1-yl]phenyl 4-methoxybenzoate
4-[2-cyano-3-(2-methoxy-4-nitroanilino)-3-oxoprop-1-en-1-yl]phenyl 4-methoxybenzoate
Compound characteristics
| Compound ID: | 8013-9604 |
| Compound Name: | 4-[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)Oc1ccc(\C=C(/C#N)C(Nc2ccc(cc2OC)[N+]([O-])=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.6435 |
| logD: | 2.7964 |
| logSw: | -4.599 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 108.622 |
| InChI Key: | OFEKJEVDAIJSMG-UHFFFAOYSA-N |