6-methyl-1-[(4-methylphenyl)methyl]-3-[({[4-(methylsulfanyl)phenyl]methyl}amino)methyl]-1H-indole-2-carboxylic acid
Chemical Structure Depiction of
6-methyl-1-[(4-methylphenyl)methyl]-3-[({[4-(methylsulfanyl)phenyl]methyl}amino)methyl]-1H-indole-2-carboxylic acid
6-methyl-1-[(4-methylphenyl)methyl]-3-[({[4-(methylsulfanyl)phenyl]methyl}amino)methyl]-1H-indole-2-carboxylic acid
Compound characteristics
| Compound ID: | E518-1654 |
| Compound Name: | 6-methyl-1-[(4-methylphenyl)methyl]-3-[({[4-(methylsulfanyl)phenyl]methyl}amino)methyl]-1H-indole-2-carboxylic acid |
| Molecular Weight: | 444.6 |
| Molecular Formula: | C27 H28 N2 O2 S |
| Smiles: | Cc1ccc(Cn2c(C(O)=O)c(CNCc3ccc(cc3)SC)c3ccc(C)cc23)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.8473 |
| logD: | 5.8473 |
| logSw: | -5.3595 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 40.642 |
| InChI Key: | BEWDYQBFBANFQQ-UHFFFAOYSA-N |