3-({[(2H-1,3-benzodioxol-5-yl)methyl]amino}methyl)-6-methoxy-1H-indole-2-carboxylic acid
Chemical Structure Depiction of
3-({[(2H-1,3-benzodioxol-5-yl)methyl]amino}methyl)-6-methoxy-1H-indole-2-carboxylic acid
3-({[(2H-1,3-benzodioxol-5-yl)methyl]amino}methyl)-6-methoxy-1H-indole-2-carboxylic acid
Compound characteristics
| Compound ID: | E518-1242 |
| Compound Name: | 3-({[(2H-1,3-benzodioxol-5-yl)methyl]amino}methyl)-6-methoxy-1H-indole-2-carboxylic acid |
| Molecular Weight: | 354.36 |
| Molecular Formula: | C19 H18 N2 O5 |
| Smiles: | COc1ccc2c(CNCc3ccc4c(c3)OCO4)c(C(O)=O)[nH]c2c1 |
| Stereo: | ACHIRAL |
| logP: | 2.2854 |
| logD: | 2.2854 |
| logSw: | -2.6736 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 75.191 |
| InChI Key: | JHGSKDQYJPGZSS-UHFFFAOYSA-N |