3-(2-cyano-3-{3-ethoxy-5-iodo-4-[(naphthalen-1-yl)methoxy]phenyl}prop-2-enamido)benzoic acid
Chemical Structure Depiction of
3-(2-cyano-3-{3-ethoxy-5-iodo-4-[(naphthalen-1-yl)methoxy]phenyl}prop-2-enamido)benzoic acid
3-(2-cyano-3-{3-ethoxy-5-iodo-4-[(naphthalen-1-yl)methoxy]phenyl}prop-2-enamido)benzoic acid
Compound characteristics
| Compound ID: | 8013-8233 |
| Compound Name: | 3-(2-cyano-3-{3-ethoxy-5-iodo-4-[(naphthalen-1-yl)methoxy]phenyl}prop-2-enamido)benzoic acid |
| Molecular Weight: | 618.43 |
| Molecular Formula: | C30 H23 I N2 O5 |
| Smiles: | CCOc1cc(\C=C(/C#N)C(Nc2cccc(c2)C(O)=O)=O)cc(c1OCc1cccc2ccccc12)I |
| Stereo: | ACHIRAL |
| logP: | 7.2965 |
| logD: | 4.4107 |
| logSw: | -6.4533 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.134 |
| InChI Key: | UWIYWYHPBWSPKN-YDZHTSKRSA-N |