3-({[(2H-1,3-benzodioxol-5-yl)methyl]amino}methyl)-1-[(4-ethenylphenyl)methyl]-1H-indole-2-carboxylic acid
Chemical Structure Depiction of
3-({[(2H-1,3-benzodioxol-5-yl)methyl]amino}methyl)-1-[(4-ethenylphenyl)methyl]-1H-indole-2-carboxylic acid
3-({[(2H-1,3-benzodioxol-5-yl)methyl]amino}methyl)-1-[(4-ethenylphenyl)methyl]-1H-indole-2-carboxylic acid
Compound characteristics
| Compound ID: | C753-2727 |
| Compound Name: | 3-({[(2H-1,3-benzodioxol-5-yl)methyl]amino}methyl)-1-[(4-ethenylphenyl)methyl]-1H-indole-2-carboxylic acid |
| Molecular Weight: | 440.5 |
| Molecular Formula: | C27 H24 N2 O4 |
| Smiles: | C=Cc1ccc(Cn2c(C(O)=O)c(CNCc3ccc4c(c3)OCO4)c3ccccc23)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.7026 |
| logD: | 4.7026 |
| logSw: | -4.5755 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.758 |
| InChI Key: | UURWBUZYKDJHKS-UHFFFAOYSA-N |