diethyl 5-[2-({5-[(4-butoxybenzamido)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-3-methylthiophene-2,4-dicarboxylate
Chemical Structure Depiction of
diethyl 5-[2-({5-[(4-butoxybenzamido)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-3-methylthiophene-2,4-dicarboxylate
diethyl 5-[2-({5-[(4-butoxybenzamido)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-3-methylthiophene-2,4-dicarboxylate
Compound characteristics
| Compound ID: | K403-0049 |
| Compound Name: | diethyl 5-[2-({5-[(4-butoxybenzamido)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-3-methylthiophene-2,4-dicarboxylate |
| Molecular Weight: | 617.74 |
| Molecular Formula: | C28 H35 N5 O7 S2 |
| Smiles: | CCCCOc1ccc(cc1)C(NCc1nnc(n1C)SCC(Nc1c(C(=O)OCC)c(C)c(C(=O)OCC)s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0133 |
| logD: | 2.1387 |
| logSw: | -4.1099 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 122.581 |
| InChI Key: | GWVZJUUGACAUKA-UHFFFAOYSA-N |