ethyl 2-(2-{[5-{[2-(4-methoxyphenyl)acetamido]methyl}-4-(2-phenylethyl)-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-(2-phenylethyl)-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-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | K403-0810 |
| Compound Name: | ethyl 2-(2-{[5-{[2-(4-methoxyphenyl)acetamido]methyl}-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 647.82 |
| Molecular Formula: | C33 H37 N5 O5 S2 |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(CSc1nnc(CNC(Cc2ccc(cc2)OC)=O)n1CCc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9088 |
| logD: | 2.8576 |
| logSw: | -4.7094 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.557 |
| InChI Key: | VCUMYVGRGSIOGJ-UHFFFAOYSA-N |