4-[2-cyano-3-(2-methoxy-4-nitroanilino)-3-oxoprop-1-en-1-yl]phenyl benzoate
Chemical Structure Depiction of
4-[2-cyano-3-(2-methoxy-4-nitroanilino)-3-oxoprop-1-en-1-yl]phenyl benzoate
4-[2-cyano-3-(2-methoxy-4-nitroanilino)-3-oxoprop-1-en-1-yl]phenyl benzoate
Compound characteristics
| Compound ID: | 8013-9601 |
| Compound Name: | 4-[2-cyano-3-(2-methoxy-4-nitroanilino)-3-oxoprop-1-en-1-yl]phenyl benzoate |
| Molecular Weight: | 443.41 |
| Molecular Formula: | C24 H17 N3 O6 |
| Smiles: | COc1cc(ccc1NC(C(=C\c1ccc(cc1)OC(c1ccccc1)=O)\C#N)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.5561 |
| logD: | 2.7089 |
| logSw: | -4.5521 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 101.078 |
| InChI Key: | VFRMRJQHWLOJMM-UHFFFAOYSA-N |