1-[(4-methoxyphenyl)methyl]-3-[({2-[4-(methylsulfanyl)phenyl]ethyl}amino)methyl]-1H-indole-2-carboxylic acid
Chemical Structure Depiction of
1-[(4-methoxyphenyl)methyl]-3-[({2-[4-(methylsulfanyl)phenyl]ethyl}amino)methyl]-1H-indole-2-carboxylic acid
1-[(4-methoxyphenyl)methyl]-3-[({2-[4-(methylsulfanyl)phenyl]ethyl}amino)methyl]-1H-indole-2-carboxylic acid
Compound characteristics
| Compound ID: | E518-0286 |
| Compound Name: | 1-[(4-methoxyphenyl)methyl]-3-[({2-[4-(methylsulfanyl)phenyl]ethyl}amino)methyl]-1H-indole-2-carboxylic acid |
| Molecular Weight: | 460.59 |
| Molecular Formula: | C27 H28 N2 O3 S |
| Smiles: | COc1ccc(Cn2c(C(O)=O)c(CNCCc3ccc(cc3)SC)c3ccccc23)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.7248 |
| logD: | 4.7248 |
| logSw: | -4.4163 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 48.028 |
| InChI Key: | DXOMQLCFWBVWSY-UHFFFAOYSA-N |