diethyl 5-{2-[(4-benzyl-5-{[(thiophene-2-carbonyl)amino]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-{[(thiophene-2-carbonyl)amino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-3-methylthiophene-2,4-dicarboxylate
diethyl 5-{2-[(4-benzyl-5-{[(thiophene-2-carbonyl)amino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-3-methylthiophene-2,4-dicarboxylate
Compound characteristics
| Compound ID: | K403-0440 |
| Compound Name: | diethyl 5-{2-[(4-benzyl-5-{[(thiophene-2-carbonyl)amino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-3-methylthiophene-2,4-dicarboxylate |
| Molecular Weight: | 627.76 |
| Molecular Formula: | C28 H29 N5 O6 S3 |
| Smiles: | CCOC(c1c(C)c(C(=O)OCC)sc1NC(CSc1nnc(CNC(c2cccs2)=O)n1Cc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1945 |
| logD: | 2.32 |
| logSw: | -4.221 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 115.1 |
| InChI Key: | TWGUYOONXNMAKR-UHFFFAOYSA-N |