2-(2-cyano-3-{1-[(naphthalen-1-yl)methyl]-1H-indol-3-yl}prop-2-enamido)benzoic acid
Chemical Structure Depiction of
2-(2-cyano-3-{1-[(naphthalen-1-yl)methyl]-1H-indol-3-yl}prop-2-enamido)benzoic acid
2-(2-cyano-3-{1-[(naphthalen-1-yl)methyl]-1H-indol-3-yl}prop-2-enamido)benzoic acid
Compound characteristics
| Compound ID: | Y505-4454 |
| Compound Name: | 2-(2-cyano-3-{1-[(naphthalen-1-yl)methyl]-1H-indol-3-yl}prop-2-enamido)benzoic acid |
| Molecular Weight: | 471.52 |
| Molecular Formula: | C30 H21 N3 O3 |
| Smiles: | C(c1cccc2ccccc12)n1cc(\C=C(/C#N)C(Nc2ccccc2C(O)=O)=O)c2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 6.4901 |
| logD: | 2.0728 |
| logSw: | -6.7959 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.557 |
| InChI Key: | XDFRZTOFMWVIAO-UHFFFAOYSA-N |