2,5-dimethyl-1-[(2-methylphenyl)methyl]-4-[({2-[4-(methylsulfanyl)phenyl]ethyl}amino)methyl]-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
2,5-dimethyl-1-[(2-methylphenyl)methyl]-4-[({2-[4-(methylsulfanyl)phenyl]ethyl}amino)methyl]-1H-pyrrole-3-carboxylic acid
2,5-dimethyl-1-[(2-methylphenyl)methyl]-4-[({2-[4-(methylsulfanyl)phenyl]ethyl}amino)methyl]-1H-pyrrole-3-carboxylic acid
Compound characteristics
| Compound ID: | C879-0591 |
| Compound Name: | 2,5-dimethyl-1-[(2-methylphenyl)methyl]-4-[({2-[4-(methylsulfanyl)phenyl]ethyl}amino)methyl]-1H-pyrrole-3-carboxylic acid |
| Molecular Weight: | 422.59 |
| Molecular Formula: | C25 H30 N2 O2 S |
| Smiles: | Cc1ccccc1Cn1c(C)c(CNCCc2ccc(cc2)SC)c(C(O)=O)c1C |
| Stereo: | ACHIRAL |
| logP: | 4.9162 |
| logD: | 4.9162 |
| logSw: | -4.4703 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 41.951 |
| InChI Key: | KKLSJHNHDFWNLW-UHFFFAOYSA-N |