ethyl 2-[2-({4-butyl-5-[(2-phenoxyacetamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[2-({4-butyl-5-[(2-phenoxyacetamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
ethyl 2-[2-({4-butyl-5-[(2-phenoxyacetamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | K403-0359 |
| Compound Name: | ethyl 2-[2-({4-butyl-5-[(2-phenoxyacetamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate |
| Molecular Weight: | 571.72 |
| Molecular Formula: | C27 H33 N5 O5 S2 |
| Smiles: | CCCCn1c(CNC(COc2ccccc2)=O)nnc1SCC(Nc1c(C(=O)OCC)c2CCCc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0561 |
| logD: | 1.9844 |
| logSw: | -4.0213 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 101.15 |
| InChI Key: | ACOQOBXHLHHODI-UHFFFAOYSA-N |