3-(3-{3-bromo-5-ethoxy-4-[(naphthalene-1-carbonyl)oxy]phenyl}-2-cyanoprop-2-enamido)benzoic acid
Chemical Structure Depiction of
3-(3-{3-bromo-5-ethoxy-4-[(naphthalene-1-carbonyl)oxy]phenyl}-2-cyanoprop-2-enamido)benzoic acid
3-(3-{3-bromo-5-ethoxy-4-[(naphthalene-1-carbonyl)oxy]phenyl}-2-cyanoprop-2-enamido)benzoic acid
Compound characteristics
| Compound ID: | 8013-8255 |
| Compound Name: | 3-(3-{3-bromo-5-ethoxy-4-[(naphthalene-1-carbonyl)oxy]phenyl}-2-cyanoprop-2-enamido)benzoic acid |
| Molecular Weight: | 585.41 |
| Molecular Formula: | C30 H21 Br N2 O6 |
| Smiles: | CCOc1cc(\C=C(/C#N)C(Nc2cccc(c2)C(O)=O)=O)cc(c1OC(c1cccc2ccccc12)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 6.8036 |
| logD: | 3.9178 |
| logSw: | -6.465 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.284 |
| InChI Key: | YZQCYGRFKAWMFA-UHFFFAOYSA-N |