ethyl 2-[2-({5-[(4-butoxybenzamido)methyl]-4-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-({5-[(4-butoxybenzamido)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-[2-({5-[(4-butoxybenzamido)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | K403-0046 |
| Compound Name: | ethyl 2-[2-({5-[(4-butoxybenzamido)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 585.74 |
| Molecular Formula: | C28 H35 N5 O5 S2 |
| Smiles: | CCCCOc1ccc(cc1)C(NCc1nnc(n1C)SCC(Nc1c(C(=O)OCC)c2CCCCc2s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5453 |
| logD: | 2.4941 |
| logSw: | -4.39 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 101.748 |
| InChI Key: | BISGENPCEVEGAD-UHFFFAOYSA-N |