4-bromo-2-[2-cyano-3-(2-methoxy-4-nitroanilino)-3-oxoprop-1-en-1-yl]phenyl 4-methoxybenzoate
Chemical Structure Depiction of
4-bromo-2-[2-cyano-3-(2-methoxy-4-nitroanilino)-3-oxoprop-1-en-1-yl]phenyl 4-methoxybenzoate
4-bromo-2-[2-cyano-3-(2-methoxy-4-nitroanilino)-3-oxoprop-1-en-1-yl]phenyl 4-methoxybenzoate
Compound characteristics
| Compound ID: | 8013-9608 |
| Compound Name: | 4-bromo-2-[2-cyano-3-(2-methoxy-4-nitroanilino)-3-oxoprop-1-en-1-yl]phenyl 4-methoxybenzoate |
| Molecular Weight: | 552.34 |
| Molecular Formula: | C25 H18 Br N3 O7 |
| Smiles: | COc1ccc(cc1)C(=O)Oc1ccc(cc1\C=C(/C#N)C(Nc1ccc(cc1OC)[N+]([O-])=O)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 5.2925 |
| logD: | 3.7431 |
| logSw: | -5.4343 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 108.708 |
| InChI Key: | IVOONLCYDUPIPA-UHFFFAOYSA-N |