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
Available: 1 mg
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mg
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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
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