1-[(2,5-dimethylphenyl)methyl]-2,5-dimethyl-4-[({[4-(methylsulfanyl)phenyl]methyl}amino)methyl]-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
1-[(2,5-dimethylphenyl)methyl]-2,5-dimethyl-4-[({[4-(methylsulfanyl)phenyl]methyl}amino)methyl]-1H-pyrrole-3-carboxylic acid
1-[(2,5-dimethylphenyl)methyl]-2,5-dimethyl-4-[({[4-(methylsulfanyl)phenyl]methyl}amino)methyl]-1H-pyrrole-3-carboxylic acid
Compound characteristics
| Compound ID: | G396-0838 |
| Compound Name: | 1-[(2,5-dimethylphenyl)methyl]-2,5-dimethyl-4-[({[4-(methylsulfanyl)phenyl]methyl}amino)methyl]-1H-pyrrole-3-carboxylic acid |
| Molecular Weight: | 422.59 |
| Molecular Formula: | C25 H30 N2 O2 S |
| Smiles: | Cc1ccc(C)c(Cn2c(C)c(CNCc3ccc(cc3)SC)c(C(O)=O)c2C)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.5156 |
| logD: | 5.5156 |
| logSw: | -5.2498 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 42.11 |
| InChI Key: | CPSBRGCBVICJES-UHFFFAOYSA-N |