1-methyl-3-[({[4-(methylsulfanyl)phenyl]methyl}amino)methyl]-1H-indole-2-carboxylic acid
Chemical Structure Depiction of
1-methyl-3-[({[4-(methylsulfanyl)phenyl]methyl}amino)methyl]-1H-indole-2-carboxylic acid
1-methyl-3-[({[4-(methylsulfanyl)phenyl]methyl}amino)methyl]-1H-indole-2-carboxylic acid
Compound characteristics
Compound ID: | E693-0526 |
Compound Name: | 1-methyl-3-[({[4-(methylsulfanyl)phenyl]methyl}amino)methyl]-1H-indole-2-carboxylic acid |
Molecular Weight: | 340.44 |
Molecular Formula: | C19 H20 N2 O2 S |
Smiles: | Cn1c(C(O)=O)c(CNCc2ccc(cc2)SC)c2ccccc12 |
Stereo: | ACHIRAL |
logP: | 3.04 |
logD: | 3.04 |
logSw: | -3.2209 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 41.724 |
InChI Key: | FHQSYPOLKMNUPJ-UHFFFAOYSA-N |