ethyl 2-{2-[(5-{[(thiophene-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-{[(thiophene-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-{[(thiophene-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: | K403-0463 |
| Compound Name: | ethyl 2-{2-[(5-{[(thiophene-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: | 635.71 |
| Molecular Formula: | C27 H24 F3 N5 O4 S3 |
| Smiles: | CCOC(c1c2CCCc2sc1NC(CSc1nnc(CNC(c2cccs2)=O)n1c1cccc(c1)C(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9361 |
| logD: | 2.9556 |
| logSw: | -4.7154 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.376 |
| InChI Key: | CBKYVYDYRUGRGK-UHFFFAOYSA-N |