6-methoxy-1-[(2-methylphenyl)methyl]-3-[({2-[4-(methylsulfanyl)phenyl]ethyl}amino)methyl]-1H-indole-2-carboxylic acid
Chemical Structure Depiction of
6-methoxy-1-[(2-methylphenyl)methyl]-3-[({2-[4-(methylsulfanyl)phenyl]ethyl}amino)methyl]-1H-indole-2-carboxylic acid
6-methoxy-1-[(2-methylphenyl)methyl]-3-[({2-[4-(methylsulfanyl)phenyl]ethyl}amino)methyl]-1H-indole-2-carboxylic acid
Compound characteristics
| Compound ID: | E518-0569 |
| Compound Name: | 6-methoxy-1-[(2-methylphenyl)methyl]-3-[({2-[4-(methylsulfanyl)phenyl]ethyl}amino)methyl]-1H-indole-2-carboxylic acid |
| Molecular Weight: | 474.62 |
| Molecular Formula: | C28 H30 N2 O3 S |
| Smiles: | Cc1ccccc1Cn1c(C(O)=O)c(CNCCc2ccc(cc2)SC)c2ccc(cc12)OC |
| Stereo: | ACHIRAL |
| logP: | 5.5911 |
| logD: | 5.5911 |
| logSw: | -5.4837 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 48.028 |
| InChI Key: | VATBFBLRZQIVGF-UHFFFAOYSA-N |