ethyl 2-[2-({5-[(3-fluorobenzamido)methyl]-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)propanamido]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[2-({5-[(3-fluorobenzamido)methyl]-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)propanamido]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
ethyl 2-[2-({5-[(3-fluorobenzamido)methyl]-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)propanamido]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Compound characteristics
Compound ID: | K403-1170 |
Compound Name: | ethyl 2-[2-({5-[(3-fluorobenzamido)methyl]-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)propanamido]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate |
Molecular Weight: | 611.69 |
Molecular Formula: | C29 H27 F2 N5 O4 S2 |
Smiles: | CCOC(c1c2CCCc2sc1NC(C(C)Sc1nnc(CNC(c2cccc(c2)F)=O)n1c1ccc(cc1)F)=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 4.9934 |
logD: | 2.7627 |
logSw: | -4.705 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 94.571 |
InChI Key: | SWYDGLNYRQSUJQ-INIZCTEOSA-N |