3-[(benzylamino)methyl]-1-[(4-ethenylphenyl)methyl]-6-methoxy-1H-indole-2-carboxylic acid
Chemical Structure Depiction of
3-[(benzylamino)methyl]-1-[(4-ethenylphenyl)methyl]-6-methoxy-1H-indole-2-carboxylic acid
3-[(benzylamino)methyl]-1-[(4-ethenylphenyl)methyl]-6-methoxy-1H-indole-2-carboxylic acid
Compound characteristics
| Compound ID: | E518-0691 |
| Compound Name: | 3-[(benzylamino)methyl]-1-[(4-ethenylphenyl)methyl]-6-methoxy-1H-indole-2-carboxylic acid |
| Molecular Weight: | 426.51 |
| Molecular Formula: | C27 H26 N2 O3 |
| Smiles: | COc1ccc2c(CNCc3ccccc3)c(C(O)=O)n(Cc3ccc(C=C)cc3)c2c1 |
| Stereo: | ACHIRAL |
| logP: | 4.8819 |
| logD: | 4.8819 |
| logSw: | -4.7298 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 48.186 |
| InChI Key: | YFSUZNLARLUKKP-UHFFFAOYSA-N |