ethyl 2-[2-({5-[(4-butoxybenzamido)methyl]-4-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-({5-[(4-butoxybenzamido)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
ethyl 2-[2-({5-[(4-butoxybenzamido)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | K403-0047 |
| Compound Name: | ethyl 2-[2-({5-[(4-butoxybenzamido)methyl]-4-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: | CCCCOc1ccc(cc1)C(NCc1nnc(n1C)SCC(Nc1c(C(=O)OCC)c2CCCc2s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.135 |
| logD: | 2.0633 |
| logSw: | -4.1695 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 102.114 |
| InChI Key: | NLFFJGGNLRBIJI-UHFFFAOYSA-N |