diethyl 5-[2-({5-[(2-chloro-6-fluorobenzamido)methyl]-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-3-methylthiophene-2,4-dicarboxylate
Chemical Structure Depiction of
diethyl 5-[2-({5-[(2-chloro-6-fluorobenzamido)methyl]-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-3-methylthiophene-2,4-dicarboxylate
diethyl 5-[2-({5-[(2-chloro-6-fluorobenzamido)methyl]-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-3-methylthiophene-2,4-dicarboxylate
Compound characteristics
| Compound ID: | K403-0150 |
| Compound Name: | diethyl 5-[2-({5-[(2-chloro-6-fluorobenzamido)methyl]-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-3-methylthiophene-2,4-dicarboxylate |
| Molecular Weight: | 678.13 |
| Molecular Formula: | C29 H26 Cl F2 N5 O6 S2 |
| Smiles: | CCOC(c1c(C)c(C(=O)OCC)sc1NC(CSc1nnc(CNC(c2c(cccc2[Cl])F)=O)n1c1ccc(cc1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6394 |
| logD: | 2.8555 |
| logSw: | -4.9669 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 114.825 |
| InChI Key: | AEPVXLBLVBKPBL-UHFFFAOYSA-N |