diethyl 5-[2-({4-benzyl-5-[(4-nitrobenzamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)propanamido]-3-methylthiophene-2,4-dicarboxylate
Chemical Structure Depiction of
diethyl 5-[2-({4-benzyl-5-[(4-nitrobenzamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)propanamido]-3-methylthiophene-2,4-dicarboxylate
diethyl 5-[2-({4-benzyl-5-[(4-nitrobenzamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)propanamido]-3-methylthiophene-2,4-dicarboxylate
Compound characteristics
| Compound ID: | K403-0892 |
| Compound Name: | diethyl 5-[2-({4-benzyl-5-[(4-nitrobenzamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)propanamido]-3-methylthiophene-2,4-dicarboxylate |
| Molecular Weight: | 680.76 |
| Molecular Formula: | C31 H32 N6 O8 S2 |
| Smiles: | CCOC(c1c(C)c(C(=O)OCC)sc1NC(C(C)Sc1nnc(CNC(c2ccc(cc2)[N+]([O-])=O)=O)n1Cc1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8515 |
| logD: | 2.7273 |
| logSw: | -4.6573 |
| Hydrogen bond acceptors count: | 17 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 147.676 |
| InChI Key: | LDMYFXHIIZESRY-IBGZPJMESA-N |