diethyl 3-methyl-5-[2-({5-[(4-nitrobenzamido)methyl]-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)propanamido]thiophene-2,4-dicarboxylate
Chemical Structure Depiction of
diethyl 3-methyl-5-[2-({5-[(4-nitrobenzamido)methyl]-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)propanamido]thiophene-2,4-dicarboxylate
diethyl 3-methyl-5-[2-({5-[(4-nitrobenzamido)methyl]-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)propanamido]thiophene-2,4-dicarboxylate
Compound characteristics
| Compound ID: | K403-1298 |
| Compound Name: | diethyl 3-methyl-5-[2-({5-[(4-nitrobenzamido)methyl]-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)propanamido]thiophene-2,4-dicarboxylate |
| Molecular Weight: | 694.79 |
| Molecular Formula: | C32 H34 N6 O8 S2 |
| Smiles: | CCOC(c1c(C)c(C(=O)OCC)sc1NC(C(C)Sc1nnc(CNC(c2ccc(cc2)[N+]([O-])=O)=O)n1CCc1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.001 |
| logD: | 2.8768 |
| logSw: | -4.6915 |
| Hydrogen bond acceptors count: | 17 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 147.655 |
| InChI Key: | WEAZQLBUEDQIKG-FQEVSTJZSA-N |