3-({[(3-chlorophenyl)methyl]amino}methyl)-1-[(4-ethenylphenyl)methyl]-6-methyl-1H-indole-2-carboxylic acid
Chemical Structure Depiction of
3-({[(3-chlorophenyl)methyl]amino}methyl)-1-[(4-ethenylphenyl)methyl]-6-methyl-1H-indole-2-carboxylic acid
3-({[(3-chlorophenyl)methyl]amino}methyl)-1-[(4-ethenylphenyl)methyl]-6-methyl-1H-indole-2-carboxylic acid
Compound characteristics
| Compound ID: | E847-0354 |
| Compound Name: | 3-({[(3-chlorophenyl)methyl]amino}methyl)-1-[(4-ethenylphenyl)methyl]-6-methyl-1H-indole-2-carboxylic acid |
| Molecular Weight: | 444.96 |
| Molecular Formula: | C27 H25 Cl N2 O2 |
| Smiles: | Cc1ccc2c(CNCc3cccc(c3)[Cl])c(C(O)=O)n(Cc3ccc(C=C)cc3)c2c1 |
| Stereo: | ACHIRAL |
| logP: | 5.9963 |
| logD: | 5.9963 |
| logSw: | -6.0061 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 40.642 |
| InChI Key: | ROQOJYZUSBIQFX-UHFFFAOYSA-N |