diethyl 5-[2-({5-[(3-fluorobenzamido)methyl]-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)propanamido]-3-methylthiophene-2,4-dicarboxylate
Chemical Structure Depiction of
diethyl 5-[2-({5-[(3-fluorobenzamido)methyl]-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)propanamido]-3-methylthiophene-2,4-dicarboxylate
diethyl 5-[2-({5-[(3-fluorobenzamido)methyl]-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)propanamido]-3-methylthiophene-2,4-dicarboxylate
Compound characteristics
| Compound ID: | K403-1317 |
| Compound Name: | diethyl 5-[2-({5-[(3-fluorobenzamido)methyl]-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)propanamido]-3-methylthiophene-2,4-dicarboxylate |
| Molecular Weight: | 667.78 |
| Molecular Formula: | C32 H34 F N5 O6 S2 |
| Smiles: | CCOC(c1c(C)c(C(=O)OCC)sc1NC(C(C)Sc1nnc(CNC(c2cccc(c2)F)=O)n1CCc1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.198 |
| logD: | 3.0739 |
| logSw: | -5.1324 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 114.273 |
| InChI Key: | CMUZVSLKBGFEBP-FQEVSTJZSA-N |