diethyl 5-[2-({4-butyl-5-[(3-fluorobenzamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)propanamido]-3-methylthiophene-2,4-dicarboxylate
Chemical Structure Depiction of
diethyl 5-[2-({4-butyl-5-[(3-fluorobenzamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)propanamido]-3-methylthiophene-2,4-dicarboxylate
diethyl 5-[2-({4-butyl-5-[(3-fluorobenzamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)propanamido]-3-methylthiophene-2,4-dicarboxylate
Compound characteristics
| Compound ID: | K403-1182 |
| Compound Name: | diethyl 5-[2-({4-butyl-5-[(3-fluorobenzamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)propanamido]-3-methylthiophene-2,4-dicarboxylate |
| Molecular Weight: | 619.73 |
| Molecular Formula: | C28 H34 F N5 O6 S2 |
| Smiles: | CCCCn1c(CNC(c2cccc(c2)F)=O)nnc1SC(C)C(Nc1c(C(=O)OCC)c(C)c(C(=O)OCC)s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7601 |
| logD: | 2.6359 |
| logSw: | -4.5665 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 114.545 |
| InChI Key: | PYMSXVQNSQZAIB-KRWDZBQOSA-N |