3-({[(4-chlorophenyl)methyl]amino}methyl)-1-[(4-ethenylphenyl)methyl]-6-methoxy-1H-indole-2-carboxylic acid
Chemical Structure Depiction of
3-({[(4-chlorophenyl)methyl]amino}methyl)-1-[(4-ethenylphenyl)methyl]-6-methoxy-1H-indole-2-carboxylic acid
3-({[(4-chlorophenyl)methyl]amino}methyl)-1-[(4-ethenylphenyl)methyl]-6-methoxy-1H-indole-2-carboxylic acid
Compound characteristics
| Compound ID: | E518-0694 |
| Compound Name: | 3-({[(4-chlorophenyl)methyl]amino}methyl)-1-[(4-ethenylphenyl)methyl]-6-methoxy-1H-indole-2-carboxylic acid |
| Molecular Weight: | 460.96 |
| Molecular Formula: | C27 H25 Cl N2 O3 |
| Smiles: | COc1ccc2c(CNCc3ccc(cc3)[Cl])c(C(O)=O)n(Cc3ccc(C=C)cc3)c2c1 |
| Stereo: | ACHIRAL |
| logP: | 5.4766 |
| logD: | 5.4766 |
| logSw: | -5.9919 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 48.186 |
| InChI Key: | GCOFOCSKBYIGHV-UHFFFAOYSA-N |