ethyl 2-[2-({4-cyclohexyl-5-[(3,5-dimethoxybenzamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[2-({4-cyclohexyl-5-[(3,5-dimethoxybenzamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-[2-({4-cyclohexyl-5-[(3,5-dimethoxybenzamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | K403-0191 |
| Compound Name: | ethyl 2-[2-({4-cyclohexyl-5-[(3,5-dimethoxybenzamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 641.81 |
| Molecular Formula: | C31 H39 N5 O6 S2 |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(CSc1nnc(CNC(c2cc(cc(c2)OC)OC)=O)n1C1CCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2492 |
| logD: | 3.198 |
| logSw: | -4.9461 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 108.912 |
| InChI Key: | KCHONBGFXXKNJI-UHFFFAOYSA-N |