3-(2-cyano-3-{3-ethoxy-4-[(naphthalene-1-carbonyl)oxy]phenyl}prop-2-enamido)benzoic acid
Chemical Structure Depiction of
3-(2-cyano-3-{3-ethoxy-4-[(naphthalene-1-carbonyl)oxy]phenyl}prop-2-enamido)benzoic acid
3-(2-cyano-3-{3-ethoxy-4-[(naphthalene-1-carbonyl)oxy]phenyl}prop-2-enamido)benzoic acid
Compound characteristics
| Compound ID: | 8013-8252 |
| Compound Name: | 3-(2-cyano-3-{3-ethoxy-4-[(naphthalene-1-carbonyl)oxy]phenyl}prop-2-enamido)benzoic acid |
| Molecular Weight: | 506.51 |
| Molecular Formula: | C30 H22 N2 O6 |
| Smiles: | CCOc1cc(\C=C(/C#N)C(Nc2cccc(c2)C(O)=O)=O)ccc1OC(c1cccc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9968 |
| logD: | 3.111 |
| logSw: | -6.381 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.197 |
| InChI Key: | ZLHMEBGNNUPUHH-PXLXIMEGSA-N |