4-[2-cyano-3-(2-methoxy-4-nitroanilino)-3-oxoprop-1-en-1-yl]phenyl 4-methylbenzoate
Chemical Structure Depiction of
4-[2-cyano-3-(2-methoxy-4-nitroanilino)-3-oxoprop-1-en-1-yl]phenyl 4-methylbenzoate
4-[2-cyano-3-(2-methoxy-4-nitroanilino)-3-oxoprop-1-en-1-yl]phenyl 4-methylbenzoate
Compound characteristics
| Compound ID: | 8013-9603 |
| Compound Name: | 4-[2-cyano-3-(2-methoxy-4-nitroanilino)-3-oxoprop-1-en-1-yl]phenyl 4-methylbenzoate |
| Molecular Weight: | 457.44 |
| Molecular Formula: | C25 H19 N3 O6 |
| Smiles: | Cc1ccc(cc1)C(=O)Oc1ccc(\C=C(/C#N)C(Nc2ccc(cc2OC)[N+]([O-])=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.0845 |
| logD: | 3.2374 |
| logSw: | -4.9672 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 101.078 |
| InChI Key: | YKEGGKFVCAAHRG-UHFFFAOYSA-N |