ethyl 2-(2-{[4-(4-bromophenyl)-5-{[(furan-2-carbonyl)amino]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-bromophenyl)-5-{[(furan-2-carbonyl)amino]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-bromophenyl)-5-{[(furan-2-carbonyl)amino]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: | K403-0481 |
Compound Name: | ethyl 2-(2-{[4-(4-bromophenyl)-5-{[(furan-2-carbonyl)amino]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate |
Molecular Weight: | 658.59 |
Molecular Formula: | C28 H28 Br N5 O5 S2 |
Smiles: | CCOC(c1c2CCCCCc2sc1NC(CSc1nnc(CNC(c2ccco2)=O)n1c1ccc(cc1)[Br])=O)=O |
Stereo: | ACHIRAL |
logP: | 5.172 |
logD: | 3.2118 |
logSw: | -4.896 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 102.901 |
InChI Key: | SDWBBMSAISSALQ-UHFFFAOYSA-N |