6-methoxy-1-[(4-methoxyphenyl)methyl]-3-[({2-[4-(methylsulfanyl)phenyl]ethyl}amino)methyl]-1H-indole-2-carboxylic acid
Chemical Structure Depiction of
6-methoxy-1-[(4-methoxyphenyl)methyl]-3-[({2-[4-(methylsulfanyl)phenyl]ethyl}amino)methyl]-1H-indole-2-carboxylic acid
6-methoxy-1-[(4-methoxyphenyl)methyl]-3-[({2-[4-(methylsulfanyl)phenyl]ethyl}amino)methyl]-1H-indole-2-carboxylic acid
Compound characteristics
| Compound ID: | E518-0808 |
| Compound Name: | 6-methoxy-1-[(4-methoxyphenyl)methyl]-3-[({2-[4-(methylsulfanyl)phenyl]ethyl}amino)methyl]-1H-indole-2-carboxylic acid |
| Molecular Weight: | 490.62 |
| Molecular Formula: | C28 H30 N2 O4 S |
| Smiles: | COc1ccc(Cn2c(C(O)=O)c(CNCCc3ccc(cc3)SC)c3ccc(cc23)OC)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.8172 |
| logD: | 4.8172 |
| logSw: | -4.5594 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.571 |
| InChI Key: | ORDYYYWGWZQBQF-UHFFFAOYSA-N |