ethyl 2-{2-[(5-{[2-(4-methoxyphenyl)acetamido]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-{[2-(4-methoxyphenyl)acetamido]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-{[2-(4-methoxyphenyl)acetamido]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: | K403-0206 |
| Compound Name: | ethyl 2-{2-[(5-{[2-(4-methoxyphenyl)acetamido]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 557.69 |
| Molecular Formula: | C26 H31 N5 O5 S2 |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(CSc1nnc(CNC(Cc2ccc(cc2)OC)=O)n1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9807 |
| logD: | 0.9295 |
| logSw: | -3.4751 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 101.66 |
| InChI Key: | ZJCBWWWQJBKDMV-UHFFFAOYSA-N |