1-[(4-ethenylphenyl)methyl]-2,5-dimethyl-4-[({[4-(methylsulfanyl)phenyl]methyl}amino)methyl]-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
1-[(4-ethenylphenyl)methyl]-2,5-dimethyl-4-[({[4-(methylsulfanyl)phenyl]methyl}amino)methyl]-1H-pyrrole-3-carboxylic acid
1-[(4-ethenylphenyl)methyl]-2,5-dimethyl-4-[({[4-(methylsulfanyl)phenyl]methyl}amino)methyl]-1H-pyrrole-3-carboxylic acid
Compound characteristics
Compound ID: | C879-2396 |
Compound Name: | 1-[(4-ethenylphenyl)methyl]-2,5-dimethyl-4-[({[4-(methylsulfanyl)phenyl]methyl}amino)methyl]-1H-pyrrole-3-carboxylic acid |
Molecular Weight: | 420.57 |
Molecular Formula: | C25 H28 N2 O2 S |
Smiles: | Cc1c(CNCc2ccc(cc2)SC)c(C(O)=O)c(C)n1Cc1ccc(C=C)cc1 |
Stereo: | ACHIRAL |
logP: | 4.9263 |
logD: | 4.9263 |
logSw: | -4.5286 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 42.11 |
InChI Key: | VHQWUBLXEWFAPN-UHFFFAOYSA-N |