1-methyl-3-[({2-[4-(methylsulfanyl)phenyl]ethyl}amino)methyl]-1H-indole-2-carboxylic acid
Chemical Structure Depiction of
1-methyl-3-[({2-[4-(methylsulfanyl)phenyl]ethyl}amino)methyl]-1H-indole-2-carboxylic acid
1-methyl-3-[({2-[4-(methylsulfanyl)phenyl]ethyl}amino)methyl]-1H-indole-2-carboxylic acid
Compound characteristics
| Compound ID: | C753-1434 |
| Compound Name: | 1-methyl-3-[({2-[4-(methylsulfanyl)phenyl]ethyl}amino)methyl]-1H-indole-2-carboxylic acid |
| Molecular Weight: | 354.47 |
| Molecular Formula: | C20 H22 N2 O2 S |
| Smiles: | Cn1c(C(O)=O)c(CNCCc2ccc(cc2)SC)c2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 2.8679 |
| logD: | 2.8679 |
| logSw: | -3.2658 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 41.565 |
| InChI Key: | NNMDTXBQXLLFBU-UHFFFAOYSA-N |