2,5-dimethyl-1-[(2-methylphenyl)methyl]-4-[({[4-(methylsulfanyl)phenyl]methyl}amino)methyl]-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
2,5-dimethyl-1-[(2-methylphenyl)methyl]-4-[({[4-(methylsulfanyl)phenyl]methyl}amino)methyl]-1H-pyrrole-3-carboxylic acid
2,5-dimethyl-1-[(2-methylphenyl)methyl]-4-[({[4-(methylsulfanyl)phenyl]methyl}amino)methyl]-1H-pyrrole-3-carboxylic acid
Compound characteristics
| Compound ID: | C879-1744 |
| Compound Name: | 2,5-dimethyl-1-[(2-methylphenyl)methyl]-4-[({[4-(methylsulfanyl)phenyl]methyl}amino)methyl]-1H-pyrrole-3-carboxylic acid |
| Molecular Weight: | 408.56 |
| Molecular Formula: | C24 H28 N2 O2 S |
| Smiles: | Cc1ccccc1Cn1c(C)c(CNCc2ccc(cc2)SC)c(C(O)=O)c1C |
| Stereo: | ACHIRAL |
| logP: | 5.0883 |
| logD: | 5.0883 |
| logSw: | -4.7716 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 42.11 |
| InChI Key: | SQHNXKMGPXQJRP-UHFFFAOYSA-N |