ethyl 2-(2-{[4-(4-fluorophenyl)-5-{[2-(4-methoxyphenyl)acetamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(2-{[4-(4-fluorophenyl)-5-{[2-(4-methoxyphenyl)acetamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
ethyl 2-(2-{[4-(4-fluorophenyl)-5-{[2-(4-methoxyphenyl)acetamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Compound characteristics
Compound ID: | K403-0214 |
Compound Name: | ethyl 2-(2-{[4-(4-fluorophenyl)-5-{[2-(4-methoxyphenyl)acetamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate |
Molecular Weight: | 651.78 |
Molecular Formula: | C32 H34 F N5 O5 S2 |
Smiles: | CCOC(c1c2CCCCCc2sc1NC(CSc1nnc(CNC(Cc2ccc(cc2)OC)=O)n1c1ccc(cc1)F)=O)=O |
Stereo: | ACHIRAL |
logP: | 5.0784 |
logD: | 3.1182 |
logSw: | -4.8459 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 101.653 |
InChI Key: | ZLLPFJQNILMWFL-UHFFFAOYSA-N |