4-[2-cyano-3-(2-methoxy-4-nitroanilino)-3-oxoprop-1-en-1-yl]phenyl 4-bromobenzoate
Chemical Structure Depiction of
4-[2-cyano-3-(2-methoxy-4-nitroanilino)-3-oxoprop-1-en-1-yl]phenyl 4-bromobenzoate
4-[2-cyano-3-(2-methoxy-4-nitroanilino)-3-oxoprop-1-en-1-yl]phenyl 4-bromobenzoate
Compound characteristics
| Compound ID: | 8013-9615 |
| Compound Name: | 4-[2-cyano-3-(2-methoxy-4-nitroanilino)-3-oxoprop-1-en-1-yl]phenyl 4-bromobenzoate |
| Molecular Weight: | 522.31 |
| Molecular Formula: | C24 H16 Br N3 O6 |
| Smiles: | COc1cc(ccc1NC(C(=C\c1ccc(cc1)OC(c1ccc(cc1)[Br])=O)\C#N)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.4951 |
| logD: | 3.6479 |
| logSw: | -5.5311 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 101.078 |
| InChI Key: | MPZGLPTYDLRZCT-UHFFFAOYSA-N |