methyl 6-methyl-2-{2-[(6-phenylpyrimidin-4-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 6-methyl-2-{2-[(6-phenylpyrimidin-4-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 6-methyl-2-{2-[(6-phenylpyrimidin-4-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | D306-0404 |
| Compound Name: | methyl 6-methyl-2-{2-[(6-phenylpyrimidin-4-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 453.58 |
| Molecular Formula: | C23 H23 N3 O3 S2 |
| Smiles: | CC1CCc2c(C(=O)OC)c(NC(CSc3cc(c4ccccc4)ncn3)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1647 |
| logD: | 3.0615 |
| logSw: | -5.1422 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.904 |
| InChI Key: | CFMDMDCVJIHSHT-CQSZACIVSA-N |