diethyl 3-methyl-5-[2-({4-(3-methylphenyl)-5-[(2-phenoxyacetamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)propanamido]thiophene-2,4-dicarboxylate
Chemical Structure Depiction of
diethyl 3-methyl-5-[2-({4-(3-methylphenyl)-5-[(2-phenoxyacetamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)propanamido]thiophene-2,4-dicarboxylate
diethyl 3-methyl-5-[2-({4-(3-methylphenyl)-5-[(2-phenoxyacetamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)propanamido]thiophene-2,4-dicarboxylate
Compound characteristics
| Compound ID: | K403-1036 |
| Compound Name: | diethyl 3-methyl-5-[2-({4-(3-methylphenyl)-5-[(2-phenoxyacetamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)propanamido]thiophene-2,4-dicarboxylate |
| Molecular Weight: | 665.79 |
| Molecular Formula: | C32 H35 N5 O7 S2 |
| Smiles: | CCOC(c1c(C)c(C(=O)OCC)sc1NC(C(C)Sc1nnc(CNC(COc2ccccc2)=O)n1c1cccc(C)c1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0509 |
| logD: | 3.0179 |
| logSw: | -4.6873 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 122.324 |
| InChI Key: | RGSXBYJXOUCCFQ-NRFANRHFSA-N |