1-benzyl-6-methyl-3-[({[4-(methylsulfanyl)phenyl]methyl}amino)methyl]-1H-indole-2-carboxylic acid
Chemical Structure Depiction of
1-benzyl-6-methyl-3-[({[4-(methylsulfanyl)phenyl]methyl}amino)methyl]-1H-indole-2-carboxylic acid
1-benzyl-6-methyl-3-[({[4-(methylsulfanyl)phenyl]methyl}amino)methyl]-1H-indole-2-carboxylic acid
Compound characteristics
| Compound ID: | E518-1581 |
| Compound Name: | 1-benzyl-6-methyl-3-[({[4-(methylsulfanyl)phenyl]methyl}amino)methyl]-1H-indole-2-carboxylic acid |
| Molecular Weight: | 430.57 |
| Molecular Formula: | C26 H26 N2 O2 S |
| Smiles: | Cc1ccc2c(CNCc3ccc(cc3)SC)c(C(O)=O)n(Cc3ccccc3)c2c1 |
| Stereo: | ACHIRAL |
| logP: | 5.4239 |
| logD: | 5.4239 |
| logSw: | -5.382 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 40.642 |
| InChI Key: | QVLNJQRHTKOUMA-UHFFFAOYSA-N |