ethyl 2-{2-[(5-{[(furan-2-carbonyl)amino]methyl}-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{2-[(5-{[(furan-2-carbonyl)amino]methyl}-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
ethyl 2-{2-[(5-{[(furan-2-carbonyl)amino]methyl}-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | K403-0529 |
| Compound Name: | ethyl 2-{2-[(5-{[(furan-2-carbonyl)amino]methyl}-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate |
| Molecular Weight: | 619.64 |
| Molecular Formula: | C27 H24 F3 N5 O5 S2 |
| Smiles: | CCOC(c1c2CCCc2sc1NC(CSc1nnc(CNC(c2ccco2)=O)n1c1cccc(c1)C(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2578 |
| logD: | 2.2772 |
| logSw: | -4.4067 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 102.936 |
| InChI Key: | DOYNADGBYCFIAC-UHFFFAOYSA-N |