6-{[3-(ethoxycarbonyl)-4-(4-fluorophenyl)-5-methylthiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid
Chemical Structure Depiction of
6-{[3-(ethoxycarbonyl)-4-(4-fluorophenyl)-5-methylthiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid
6-{[3-(ethoxycarbonyl)-4-(4-fluorophenyl)-5-methylthiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid
Compound characteristics
Compound ID: | 6049-2269 |
Compound Name: | 6-{[3-(ethoxycarbonyl)-4-(4-fluorophenyl)-5-methylthiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid |
Molecular Weight: | 431.48 |
Molecular Formula: | C22 H22 F N O5 S |
Smiles: | CCOC(c1c(c2ccc(cc2)F)c(C)sc1NC(C1CC=CCC1C(O)=O)=O)=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 4.2925 |
logD: | 1.9367 |
logSw: | -4.3653 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 72.206 |
InChI Key: | ABVIEQCPXIOJDM-UHFFFAOYSA-N |