diethyl 5-[2-({5-[(4-butoxybenzamido)methyl]-4-butyl-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-butyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-3-methylthiophene-2,4-dicarboxylate
diethyl 5-[2-({5-[(4-butoxybenzamido)methyl]-4-butyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-3-methylthiophene-2,4-dicarboxylate
Compound characteristics
| Compound ID: | K403-0051 |
| Compound Name: | diethyl 5-[2-({5-[(4-butoxybenzamido)methyl]-4-butyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-3-methylthiophene-2,4-dicarboxylate |
| Molecular Weight: | 659.82 |
| Molecular Formula: | C31 H41 N5 O7 S2 |
| Smiles: | CCCCn1c(CNC(c2ccc(cc2)OCCCC)=O)nnc1SCC(Nc1c(C(=O)OCC)c(C)c(C(=O)OCC)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5034 |
| logD: | 3.6288 |
| logSw: | -5.3454 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 121.749 |
| InChI Key: | ZKBQSDRLGIFGHZ-UHFFFAOYSA-N |