ethyl 2-[2-({4-butyl-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-butyl-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-butyl-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: | K403-0187 |
| Compound Name: | ethyl 2-[2-({4-butyl-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: | 615.77 |
| Molecular Formula: | C29 H37 N5 O6 S2 |
| Smiles: | CCCCn1c(CNC(c2cc(cc(c2)OC)OC)=O)nnc1SCC(Nc1c(C(=O)OCC)c2CCCCc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8685 |
| logD: | 2.8173 |
| logSw: | -4.5437 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 108.586 |
| InChI Key: | CFXSPNPCBNVXKY-UHFFFAOYSA-N |