ethyl 2-[2-({5-[(2-phenoxyacetamido)methyl]-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[2-({5-[(2-phenoxyacetamido)methyl]-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
ethyl 2-[2-({5-[(2-phenoxyacetamido)methyl]-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | K403-0821 |
| Compound Name: | ethyl 2-[2-({5-[(2-phenoxyacetamido)methyl]-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate |
| Molecular Weight: | 647.82 |
| Molecular Formula: | C33 H37 N5 O5 S2 |
| Smiles: | CCOC(c1c2CCCCCc2sc1NC(CSc1nnc(CNC(COc2ccccc2)=O)n1CCc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4002 |
| logD: | 3.349 |
| logSw: | -5.2762 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.843 |
| InChI Key: | KBOCCOZTUHAQMB-UHFFFAOYSA-N |