ethyl 2-[2-({5-[(3,4-dimethoxybenzamido)methyl]-4-(2-phenylethyl)-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-({5-[(3,4-dimethoxybenzamido)methyl]-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
ethyl 2-[2-({5-[(3,4-dimethoxybenzamido)methyl]-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | K403-0845 |
| Compound Name: | ethyl 2-[2-({5-[(3,4-dimethoxybenzamido)methyl]-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate |
| Molecular Weight: | 677.84 |
| Molecular Formula: | C34 H39 N5 O6 S2 |
| Smiles: | CCOC(c1c2CCCCCc2sc1NC(CSc1nnc(CNC(c2ccc(c(c2)OC)OC)=O)n1CCc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1612 |
| logD: | 3.11 |
| logSw: | -5.0712 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 108.818 |
| InChI Key: | JGOIWTQBAIARAT-UHFFFAOYSA-N |