1-[(3-fluorophenyl)methyl]-6-methyl-3-[({[4-(methylsulfanyl)phenyl]methyl}amino)methyl]-1H-indole-2-carboxylic acid
Chemical Structure Depiction of
1-[(3-fluorophenyl)methyl]-6-methyl-3-[({[4-(methylsulfanyl)phenyl]methyl}amino)methyl]-1H-indole-2-carboxylic acid
1-[(3-fluorophenyl)methyl]-6-methyl-3-[({[4-(methylsulfanyl)phenyl]methyl}amino)methyl]-1H-indole-2-carboxylic acid
Compound characteristics
| Compound ID: | E847-0284 |
| Compound Name: | 1-[(3-fluorophenyl)methyl]-6-methyl-3-[({[4-(methylsulfanyl)phenyl]methyl}amino)methyl]-1H-indole-2-carboxylic acid |
| Molecular Weight: | 448.56 |
| Molecular Formula: | C26 H25 F N2 O2 S |
| Smiles: | Cc1ccc2c(CNCc3ccc(cc3)SC)c(C(O)=O)n(Cc3cccc(c3)F)c2c1 |
| Stereo: | ACHIRAL |
| logP: | 5.5461 |
| logD: | 5.5461 |
| logSw: | -5.3791 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 40.642 |
| InChI Key: | SBCMCCHDDCQZAL-UHFFFAOYSA-N |