3-({[(2H-1,3-benzodioxol-5-yl)methyl]amino}methyl)-1-[(4-ethenylphenyl)methyl]-6-methoxy-1H-indole-2-carboxylic acid
Chemical Structure Depiction of
3-({[(2H-1,3-benzodioxol-5-yl)methyl]amino}methyl)-1-[(4-ethenylphenyl)methyl]-6-methoxy-1H-indole-2-carboxylic acid
3-({[(2H-1,3-benzodioxol-5-yl)methyl]amino}methyl)-1-[(4-ethenylphenyl)methyl]-6-methoxy-1H-indole-2-carboxylic acid
Compound characteristics
| Compound ID: | E518-0704 |
| Compound Name: | 3-({[(2H-1,3-benzodioxol-5-yl)methyl]amino}methyl)-1-[(4-ethenylphenyl)methyl]-6-methoxy-1H-indole-2-carboxylic acid |
| Molecular Weight: | 470.52 |
| Molecular Formula: | C28 H26 N2 O5 |
| Smiles: | COc1ccc2c(CNCc3ccc4c(c3)OCO4)c(C(O)=O)n(Cc3ccc(C=C)cc3)c2c1 |
| Stereo: | ACHIRAL |
| logP: | 4.795 |
| logD: | 4.795 |
| logSw: | -4.6179 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.302 |
| InChI Key: | QTWZVTRIXJHRCJ-UHFFFAOYSA-N |