1-[(2-chloro-4-fluorophenyl)methyl]-2,5-dimethyl-4-({[2-(thiophen-2-yl)ethyl]amino}methyl)-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
1-[(2-chloro-4-fluorophenyl)methyl]-2,5-dimethyl-4-({[2-(thiophen-2-yl)ethyl]amino}methyl)-1H-pyrrole-3-carboxylic acid
1-[(2-chloro-4-fluorophenyl)methyl]-2,5-dimethyl-4-({[2-(thiophen-2-yl)ethyl]amino}methyl)-1H-pyrrole-3-carboxylic acid
Compound characteristics
Compound ID: | C879-1147 |
Compound Name: | 1-[(2-chloro-4-fluorophenyl)methyl]-2,5-dimethyl-4-({[2-(thiophen-2-yl)ethyl]amino}methyl)-1H-pyrrole-3-carboxylic acid |
Molecular Weight: | 420.93 |
Molecular Formula: | C21 H22 Cl F N2 O2 S |
Smiles: | Cc1c(CNCCc2cccs2)c(C(O)=O)c(C)n1Cc1ccc(cc1[Cl])F |
Stereo: | ACHIRAL |
logP: | 4.2621 |
logD: | 4.2621 |
logSw: | -4.3431 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 42.97 |
InChI Key: | LUJWDRAWRSFPCO-UHFFFAOYSA-N |