diethyl 5-(2-{[4-(3-chlorophenyl)-5-{[2-(4-methoxyphenyl)acetamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-3-methylthiophene-2,4-dicarboxylate
Chemical Structure Depiction of
diethyl 5-(2-{[4-(3-chlorophenyl)-5-{[2-(4-methoxyphenyl)acetamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-3-methylthiophene-2,4-dicarboxylate
diethyl 5-(2-{[4-(3-chlorophenyl)-5-{[2-(4-methoxyphenyl)acetamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-3-methylthiophene-2,4-dicarboxylate
Compound characteristics
| Compound ID: | K403-0243 |
| Compound Name: | diethyl 5-(2-{[4-(3-chlorophenyl)-5-{[2-(4-methoxyphenyl)acetamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-3-methylthiophene-2,4-dicarboxylate |
| Molecular Weight: | 686.21 |
| Molecular Formula: | C31 H32 Cl N5 O7 S2 |
| Smiles: | CCOC(c1c(C)c(C(=O)OCC)sc1NC(CSc1nnc(CNC(Cc2ccc(cc2)OC)=O)n1c1cccc(c1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6301 |
| logD: | 2.8462 |
| logSw: | -4.9286 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 122.155 |
| InChI Key: | XIPZCBLQZFAJHK-UHFFFAOYSA-N |