1-benzyl-3-[({2-[4-(methylsulfanyl)phenyl]ethyl}amino)methyl]-1H-indole-2-carboxylic acid
Chemical Structure Depiction of
1-benzyl-3-[({2-[4-(methylsulfanyl)phenyl]ethyl}amino)methyl]-1H-indole-2-carboxylic acid
1-benzyl-3-[({2-[4-(methylsulfanyl)phenyl]ethyl}amino)methyl]-1H-indole-2-carboxylic acid
Compound characteristics
| Compound ID: | C753-2002 |
| Compound Name: | 1-benzyl-3-[({2-[4-(methylsulfanyl)phenyl]ethyl}amino)methyl]-1H-indole-2-carboxylic acid |
| Molecular Weight: | 430.57 |
| Molecular Formula: | C26 H26 N2 O2 S |
| Smiles: | CSc1ccc(CCNCc2c3ccccc3n(Cc3ccccc3)c2C(O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.7424 |
| logD: | 4.7424 |
| logSw: | -4.4525 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 40.484 |
| InChI Key: | WKNMEBXEXBYKOZ-UHFFFAOYSA-N |