diethyl 5-[2-({5-[(3,5-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-[(3,5-dimethoxybenzamido)methyl]-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)propanamido]-3-methylthiophene-2,4-dicarboxylate
diethyl 5-[2-({5-[(3,5-dimethoxybenzamido)methyl]-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)propanamido]-3-methylthiophene-2,4-dicarboxylate
Compound characteristics
| Compound ID: | K403-0949 |
| Compound Name: | diethyl 5-[2-({5-[(3,5-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(c2cc(cc(c2)OC)OC)=O)n1c1cccc(C)c1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.453 |
| logD: | 3.42 |
| logSw: | -5.3912 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 130.126 |
| InChI Key: | QETAWEQJZONDLR-FQEVSTJZSA-N |