1-benzyl-3-({[(3,4-dimethoxyphenyl)methyl]amino}methyl)-6-methyl-1H-indole-2-carboxylic acid
Chemical Structure Depiction of
1-benzyl-3-({[(3,4-dimethoxyphenyl)methyl]amino}methyl)-6-methyl-1H-indole-2-carboxylic acid
1-benzyl-3-({[(3,4-dimethoxyphenyl)methyl]amino}methyl)-6-methyl-1H-indole-2-carboxylic acid
Compound characteristics
| Compound ID: | E518-1579 |
| Compound Name: | 1-benzyl-3-({[(3,4-dimethoxyphenyl)methyl]amino}methyl)-6-methyl-1H-indole-2-carboxylic acid |
| Molecular Weight: | 444.53 |
| Molecular Formula: | C27 H28 N2 O4 |
| Smiles: | Cc1ccc2c(CNCc3ccc(c(c3)OC)OC)c(C(O)=O)n(Cc3ccccc3)c2c1 |
| Stereo: | ACHIRAL |
| logP: | 4.3195 |
| logD: | 4.3195 |
| logSw: | -4.4587 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.903 |
| InChI Key: | DNISPUVBNCFTRM-UHFFFAOYSA-N |