1-[(4-fluorophenyl)methyl]-6-methoxy-3-[({[4-(methylsulfanyl)phenyl]methyl}amino)methyl]-1H-indole-2-carboxylic acid
Chemical Structure Depiction of
1-[(4-fluorophenyl)methyl]-6-methoxy-3-[({[4-(methylsulfanyl)phenyl]methyl}amino)methyl]-1H-indole-2-carboxylic acid
1-[(4-fluorophenyl)methyl]-6-methoxy-3-[({[4-(methylsulfanyl)phenyl]methyl}amino)methyl]-1H-indole-2-carboxylic acid
Compound characteristics
| Compound ID: | E518-0990 |
| Compound Name: | 1-[(4-fluorophenyl)methyl]-6-methoxy-3-[({[4-(methylsulfanyl)phenyl]methyl}amino)methyl]-1H-indole-2-carboxylic acid |
| Molecular Weight: | 464.56 |
| Molecular Formula: | C26 H25 F N2 O3 S |
| Smiles: | COc1ccc2c(CNCc3ccc(cc3)SC)c(C(O)=O)n(Cc3ccc(cc3)F)c2c1 |
| Stereo: | ACHIRAL |
| logP: | 5.0359 |
| logD: | 5.0359 |
| logSw: | -4.7137 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 48.186 |
| InChI Key: | SNLZQEXFVQWKJM-UHFFFAOYSA-N |