ethyl 2-[2-({5-[(2-phenylacetamido)methyl]-4-(2-phenylethyl)-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-({5-[(2-phenylacetamido)methyl]-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
ethyl 2-[2-({5-[(2-phenylacetamido)methyl]-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | K403-0817 |
| Compound Name: | ethyl 2-[2-({5-[(2-phenylacetamido)methyl]-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate |
| Molecular Weight: | 603.76 |
| Molecular Formula: | C31 H33 N5 O4 S2 |
| Smiles: | CCOC(c1c2CCCc2sc1NC(CSc1nnc(CNC(Cc2ccccc2)=O)n1CCc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5161 |
| logD: | 2.4445 |
| logSw: | -4.3972 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.379 |
| InChI Key: | YWXDYFZKOZFHOQ-UHFFFAOYSA-N |