diethyl 5-[2-({4-benzyl-5-[(3,4-dimethoxybenzamido)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-[(3,4-dimethoxybenzamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)propanamido]-3-methylthiophene-2,4-dicarboxylate
diethyl 5-[2-({4-benzyl-5-[(3,4-dimethoxybenzamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)propanamido]-3-methylthiophene-2,4-dicarboxylate
Compound characteristics
| Compound ID: | K403-1229 |
| Compound Name: | diethyl 5-[2-({4-benzyl-5-[(3,4-dimethoxybenzamido)methyl]-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)n1Cc1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5501 |
| logD: | 2.4259 |
| logSw: | -4.4726 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 129.556 |
| InChI Key: | YPJBJKJHEBCCHZ-FQEVSTJZSA-N |