diethyl 5-[2-({4-benzyl-5-[(4-methoxybenzamido)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-[(4-methoxybenzamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-3-methylthiophene-2,4-dicarboxylate
diethyl 5-[2-({4-benzyl-5-[(4-methoxybenzamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-3-methylthiophene-2,4-dicarboxylate
Compound characteristics
| Compound ID: | K403-0021 |
| Compound Name: | diethyl 5-[2-({4-benzyl-5-[(4-methoxybenzamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-3-methylthiophene-2,4-dicarboxylate |
| Molecular Weight: | 651.76 |
| Molecular Formula: | C31 H33 N5 O7 S2 |
| Smiles: | CCOC(c1c(C)c(C(=O)OCC)sc1NC(CSc1nnc(CNC(c2ccc(cc2)OC)=O)n1Cc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.342 |
| logD: | 2.4674 |
| logSw: | -4.3383 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 121.625 |
| InChI Key: | XNBVGDMNYOXXEZ-UHFFFAOYSA-N |