diethyl 5-[2-({4-(4-fluorophenyl)-5-[(3-methylbenzamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)propanamido]-3-methylthiophene-2,4-dicarboxylate
Chemical Structure Depiction of
diethyl 5-[2-({4-(4-fluorophenyl)-5-[(3-methylbenzamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)propanamido]-3-methylthiophene-2,4-dicarboxylate
diethyl 5-[2-({4-(4-fluorophenyl)-5-[(3-methylbenzamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)propanamido]-3-methylthiophene-2,4-dicarboxylate
Compound characteristics
| Compound ID: | K403-0977 |
| Compound Name: | diethyl 5-[2-({4-(4-fluorophenyl)-5-[(3-methylbenzamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)propanamido]-3-methylthiophene-2,4-dicarboxylate |
| Molecular Weight: | 653.75 |
| Molecular Formula: | C31 H32 F N5 O6 S2 |
| Smiles: | CCOC(c1c(C)c(C(=O)OCC)sc1NC(C(C)Sc1nnc(CNC(c2cccc(C)c2)=O)n1c1ccc(cc1)F)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.12 |
| logD: | 3.087 |
| logSw: | -5.0396 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 115.038 |
| InChI Key: | XHVAUUYRJSPZOH-IBGZPJMESA-N |