1-benzyl-3-({[(3-bromophenyl)methyl]amino}methyl)-6-methyl-1H-indole-2-carboxylic acid
Chemical Structure Depiction of
1-benzyl-3-({[(3-bromophenyl)methyl]amino}methyl)-6-methyl-1H-indole-2-carboxylic acid
1-benzyl-3-({[(3-bromophenyl)methyl]amino}methyl)-6-methyl-1H-indole-2-carboxylic acid
Compound characteristics
| Compound ID: | E518-1597 |
| Compound Name: | 1-benzyl-3-({[(3-bromophenyl)methyl]amino}methyl)-6-methyl-1H-indole-2-carboxylic acid |
| Molecular Weight: | 463.37 |
| Molecular Formula: | C25 H23 Br N2 O2 |
| Smiles: | Cc1ccc2c(CNCc3cccc(c3)[Br])c(C(O)=O)n(Cc3ccccc3)c2c1 |
| Stereo: | ACHIRAL |
| logP: | 5.4575 |
| logD: | 5.4575 |
| logSw: | -5.4844 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 40.642 |
| InChI Key: | CFLXUHQWAQAJSH-UHFFFAOYSA-N |