1-benzyl-6-methoxy-3-[({2-[4-(methylsulfanyl)phenyl]ethyl}amino)methyl]-1H-indole-2-carboxylic acid
Chemical Structure Depiction of
1-benzyl-6-methoxy-3-[({2-[4-(methylsulfanyl)phenyl]ethyl}amino)methyl]-1H-indole-2-carboxylic acid
1-benzyl-6-methoxy-3-[({2-[4-(methylsulfanyl)phenyl]ethyl}amino)methyl]-1H-indole-2-carboxylic acid
Compound characteristics
| Compound ID: | E518-1072 |
| Compound Name: | 1-benzyl-6-methoxy-3-[({2-[4-(methylsulfanyl)phenyl]ethyl}amino)methyl]-1H-indole-2-carboxylic acid |
| Molecular Weight: | 460.59 |
| Molecular Formula: | C27 H28 N2 O3 S |
| Smiles: | COc1ccc2c(CNCCc3ccc(cc3)SC)c(C(O)=O)n(Cc3ccccc3)c2c1 |
| Stereo: | ACHIRAL |
| logP: | 4.8348 |
| logD: | 4.8348 |
| logSw: | -4.6501 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 48.028 |
| InChI Key: | SEXWQVYTSQGWBG-UHFFFAOYSA-N |