diethyl 5-[2-({5-[(3,4-dimethoxybenzamido)methyl]-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)propanamido]-3-methylthiophene-2,4-dicarboxylate
Chemical Structure Depiction of
diethyl 5-[2-({5-[(3,4-dimethoxybenzamido)methyl]-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)propanamido]-3-methylthiophene-2,4-dicarboxylate
diethyl 5-[2-({5-[(3,4-dimethoxybenzamido)methyl]-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)propanamido]-3-methylthiophene-2,4-dicarboxylate
Compound characteristics
| Compound ID: | K403-1241 |
| Compound Name: | diethyl 5-[2-({5-[(3,4-dimethoxybenzamido)methyl]-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)propanamido]-3-methylthiophene-2,4-dicarboxylate |
| Molecular Weight: | 695.81 |
| Molecular Formula: | C33 H37 N5 O8 S2 |
| Smiles: | CCOC(c1c(C)c(C(=O)OCC)sc1NC(C(C)Sc1nnc(CNC(c2ccc(c(c2)OC)OC)=O)n1c1cccc(C)c1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8118 |
| logD: | 2.7788 |
| logSw: | -4.6398 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 130.299 |
| InChI Key: | KEVNECLAUVOABT-FQEVSTJZSA-N |