3-({[(2-bromophenyl)methyl]amino}methyl)-6-methoxy-1-[(4-methylphenyl)methyl]-1H-indole-2-carboxylic acid
Chemical Structure Depiction of
3-({[(2-bromophenyl)methyl]amino}methyl)-6-methoxy-1-[(4-methylphenyl)methyl]-1H-indole-2-carboxylic acid
3-({[(2-bromophenyl)methyl]amino}methyl)-6-methoxy-1-[(4-methylphenyl)methyl]-1H-indole-2-carboxylic acid
Compound characteristics
| Compound ID: | E518-0912 |
| Compound Name: | 3-({[(2-bromophenyl)methyl]amino}methyl)-6-methoxy-1-[(4-methylphenyl)methyl]-1H-indole-2-carboxylic acid |
| Molecular Weight: | 493.4 |
| Molecular Formula: | C26 H25 Br N2 O3 |
| Smiles: | Cc1ccc(Cn2c(C(O)=O)c(CNCc3ccccc3[Br])c3ccc(cc23)OC)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.5482 |
| logD: | 5.5482 |
| logSw: | -5.4959 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 48.186 |
| InChI Key: | MSROXXUULZLWOI-UHFFFAOYSA-N |