diethyl 5-[2-({5-[(3-methoxybenzamido)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)propanamido]-3-methylthiophene-2,4-dicarboxylate
Chemical Structure Depiction of
diethyl 5-[2-({5-[(3-methoxybenzamido)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)propanamido]-3-methylthiophene-2,4-dicarboxylate
diethyl 5-[2-({5-[(3-methoxybenzamido)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)propanamido]-3-methylthiophene-2,4-dicarboxylate
Compound characteristics
| Compound ID: | K403-1189 |
| Compound Name: | diethyl 5-[2-({5-[(3-methoxybenzamido)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)propanamido]-3-methylthiophene-2,4-dicarboxylate |
| Molecular Weight: | 589.69 |
| Molecular Formula: | C26 H31 N5 O7 S2 |
| Smiles: | CCOC(c1c(C)c(C(=O)OCC)sc1NC(C(C)Sc1nnc(CNC(c2cccc(c2)OC)=O)n1C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2094 |
| logD: | 1.0852 |
| logSw: | -3.608 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 122.92 |
| InChI Key: | PQHBJCHFHLGIET-HNNXBMFYSA-N |