ethyl 6-methyl-2-{2-[(2-methyl-6-phenylpyrimidin-4-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 6-methyl-2-{2-[(2-methyl-6-phenylpyrimidin-4-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 6-methyl-2-{2-[(2-methyl-6-phenylpyrimidin-4-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | D306-0190 |
| Compound Name: | ethyl 6-methyl-2-{2-[(2-methyl-6-phenylpyrimidin-4-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 481.64 |
| Molecular Formula: | C25 H27 N3 O3 S2 |
| Smiles: | CCOC(c1c2CCC(C)Cc2sc1NC(CSc1cc(c2ccccc2)nc(C)n1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8994 |
| logD: | 3.7962 |
| logSw: | -5.4896 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.858 |
| InChI Key: | DJLZYBITFRUDGZ-OAHLLOKOSA-N |