diethyl 5-[2-({4-benzyl-5-[(3-methylbenzamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-3-methylthiophene-2,4-dicarboxylate
Chemical Structure Depiction of
diethyl 5-[2-({4-benzyl-5-[(3-methylbenzamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-3-methylthiophene-2,4-dicarboxylate
diethyl 5-[2-({4-benzyl-5-[(3-methylbenzamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-3-methylthiophene-2,4-dicarboxylate
Compound characteristics
| Compound ID: | K403-0267 |
| Compound Name: | diethyl 5-[2-({4-benzyl-5-[(3-methylbenzamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-3-methylthiophene-2,4-dicarboxylate |
| Molecular Weight: | 635.76 |
| Molecular Formula: | C31 H33 N5 O6 S2 |
| Smiles: | CCOC(c1c(C)c(C(=O)OCC)sc1NC(CSc1nnc(CNC(c2cccc(C)c2)=O)n1Cc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7307 |
| logD: | 2.8561 |
| logSw: | -4.5852 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 114.081 |
| InChI Key: | KBDOHRXLYTZHSI-UHFFFAOYSA-N |