3-({[(2H-1,3-benzodioxol-5-yl)methyl]amino}methyl)-6-methoxy-1-methyl-1H-indole-2-carboxylic acid
Chemical Structure Depiction of
3-({[(2H-1,3-benzodioxol-5-yl)methyl]amino}methyl)-6-methoxy-1-methyl-1H-indole-2-carboxylic acid
3-({[(2H-1,3-benzodioxol-5-yl)methyl]amino}methyl)-6-methoxy-1-methyl-1H-indole-2-carboxylic acid
Compound characteristics
| Compound ID: | E518-1167 |
| Compound Name: | 3-({[(2H-1,3-benzodioxol-5-yl)methyl]amino}methyl)-6-methoxy-1-methyl-1H-indole-2-carboxylic acid |
| Molecular Weight: | 368.39 |
| Molecular Formula: | C20 H20 N2 O5 |
| Smiles: | Cn1c(C(O)=O)c(CNCc2ccc3c(c2)OCO3)c2ccc(cc12)OC |
| Stereo: | ACHIRAL |
| logP: | 2.422 |
| logD: | 2.422 |
| logSw: | -2.752 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.383 |
| InChI Key: | JACUQFHUQHJYPK-UHFFFAOYSA-N |