ethyl 2-[2-({5-[(3,5-dimethoxybenzamido)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-[(3,5-dimethoxybenzamido)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-[(3,5-dimethoxybenzamido)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: | K403-0199 |
| Compound Name: | ethyl 2-[2-({5-[(3,5-dimethoxybenzamido)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: | 689.73 |
| Molecular Formula: | C31 H30 F3 N5 O6 S2 |
| Smiles: | CCOC(c1c2CCCc2sc1NC(CSc1nnc(CNC(c2cc(cc(c2)OC)OC)=O)n1c1cccc(c1)C(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3667 |
| logD: | 3.3861 |
| logSw: | -5.4519 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 109.445 |
| InChI Key: | QBEJUWGYCNYDJU-UHFFFAOYSA-N |