ethyl 4-{2-[(2-methyl-6-phenylpyrimidin-4-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
ethyl 4-{2-[(2-methyl-6-phenylpyrimidin-4-yl)sulfanyl]acetamido}benzoate
ethyl 4-{2-[(2-methyl-6-phenylpyrimidin-4-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | D306-0060 |
| Compound Name: | ethyl 4-{2-[(2-methyl-6-phenylpyrimidin-4-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 407.49 |
| Molecular Formula: | C22 H21 N3 O3 S |
| Smiles: | CCOC(c1ccc(cc1)NC(CSc1cc(c2ccccc2)nc(C)n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9751 |
| logD: | 4.9741 |
| logSw: | -4.6186 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.143 |
| InChI Key: | ANNWNSVFYSLYAM-UHFFFAOYSA-N |