1-benzyl-3-[(benzylamino)methyl]-6-methyl-1H-indole-2-carboxylic acid
Chemical Structure Depiction of
1-benzyl-3-[(benzylamino)methyl]-6-methyl-1H-indole-2-carboxylic acid
1-benzyl-3-[(benzylamino)methyl]-6-methyl-1H-indole-2-carboxylic acid
Compound characteristics
| Compound ID: | E518-1528 |
| Compound Name: | 1-benzyl-3-[(benzylamino)methyl]-6-methyl-1H-indole-2-carboxylic acid |
| Molecular Weight: | 384.48 |
| Molecular Formula: | C25 H24 N2 O2 |
| Smiles: | Cc1ccc2c(CNCc3ccccc3)c(C(O)=O)n(Cc3ccccc3)c2c1 |
| Stereo: | ACHIRAL |
| logP: | 4.7046 |
| logD: | 4.7046 |
| logSw: | -4.5184 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 40.642 |
| InChI Key: | QADQONIPYGEORG-UHFFFAOYSA-N |