1-[(2-methylphenyl)methyl]-3-[({[4-(methylsulfanyl)phenyl]methyl}amino)methyl]-1H-indole-2-carboxylic acid
Chemical Structure Depiction of
1-[(2-methylphenyl)methyl]-3-[({[4-(methylsulfanyl)phenyl]methyl}amino)methyl]-1H-indole-2-carboxylic acid
1-[(2-methylphenyl)methyl]-3-[({[4-(methylsulfanyl)phenyl]methyl}amino)methyl]-1H-indole-2-carboxylic acid
Compound characteristics
| Compound ID: | E693-0517 |
| Compound Name: | 1-[(2-methylphenyl)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: | Cc1ccccc1Cn1c(C(O)=O)c(CNCc2ccc(cc2)SC)c2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 5.6707 |
| logD: | 5.6707 |
| logSw: | -5.4438 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 40.642 |
| InChI Key: | IYSZDAOXZQWQPS-UHFFFAOYSA-N |