1-[(4-fluorophenyl)methyl]-3-[({[4-(methylsulfanyl)phenyl]methyl}amino)methyl]-1H-indole-2-carboxylic acid
Chemical Structure Depiction of
1-[(4-fluorophenyl)methyl]-3-[({[4-(methylsulfanyl)phenyl]methyl}amino)methyl]-1H-indole-2-carboxylic acid
1-[(4-fluorophenyl)methyl]-3-[({[4-(methylsulfanyl)phenyl]methyl}amino)methyl]-1H-indole-2-carboxylic acid
Compound characteristics
| Compound ID: | E518-0131 |
| Compound Name: | 1-[(4-fluorophenyl)methyl]-3-[({[4-(methylsulfanyl)phenyl]methyl}amino)methyl]-1H-indole-2-carboxylic acid |
| Molecular Weight: | 434.53 |
| Molecular Formula: | C25 H23 F N2 O2 S |
| Smiles: | CSc1ccc(CNCc2c3ccccc3n(Cc3ccc(cc3)F)c2C(O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.9435 |
| logD: | 4.9435 |
| logSw: | -4.5049 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 40.642 |
| InChI Key: | BASFBBRLUVIYOV-UHFFFAOYSA-N |