3-({[(2H-1,3-benzodioxol-5-yl)methyl]amino}methyl)-6-methoxy-1-[(2-methylphenyl)methyl]-1H-indole-2-carboxylic acid
Chemical Structure Depiction of
3-({[(2H-1,3-benzodioxol-5-yl)methyl]amino}methyl)-6-methoxy-1-[(2-methylphenyl)methyl]-1H-indole-2-carboxylic acid
3-({[(2H-1,3-benzodioxol-5-yl)methyl]amino}methyl)-6-methoxy-1-[(2-methylphenyl)methyl]-1H-indole-2-carboxylic acid
Compound characteristics
| Compound ID: | E518-0521 |
| Compound Name: | 3-({[(2H-1,3-benzodioxol-5-yl)methyl]amino}methyl)-6-methoxy-1-[(2-methylphenyl)methyl]-1H-indole-2-carboxylic acid |
| Molecular Weight: | 458.51 |
| Molecular Formula: | C27 H26 N2 O5 |
| Smiles: | Cc1ccccc1Cn1c(C(O)=O)c(CNCc2ccc3c(c2)OCO3)c2ccc(cc12)OC |
| Stereo: | ACHIRAL |
| logP: | 4.9569 |
| logD: | 4.9569 |
| logSw: | -4.6863 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.302 |
| InChI Key: | GYAYYRIRKDTQOM-UHFFFAOYSA-N |