ethyl 2-[2-({5-[(4-methoxybenzamido)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-[(4-methoxybenzamido)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-[(4-methoxybenzamido)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: | K403-0794 |
| Compound Name: | ethyl 2-[2-({5-[(4-methoxybenzamido)methyl]-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate |
| Molecular Weight: | 619.76 |
| Molecular Formula: | C31 H33 N5 O5 S2 |
| Smiles: | CCOC(c1c2CCCc2sc1NC(CSc1nnc(CNC(c2ccc(cc2)OC)=O)n1CCc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6132 |
| logD: | 2.5415 |
| logSw: | -4.5009 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 101.136 |
| InChI Key: | NZQMBLLZCSSXFW-UHFFFAOYSA-N |