ethyl 3-{2-[(6-phenylpyrimidin-4-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
ethyl 3-{2-[(6-phenylpyrimidin-4-yl)sulfanyl]acetamido}benzoate
ethyl 3-{2-[(6-phenylpyrimidin-4-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | D306-0049 |
| Compound Name: | ethyl 3-{2-[(6-phenylpyrimidin-4-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 393.46 |
| Molecular Formula: | C21 H19 N3 O3 S |
| Smiles: | CCOC(c1cccc(c1)NC(CSc1cc(c2ccccc2)ncn1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8032 |
| logD: | 4.8031 |
| logSw: | -4.5284 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.769 |
| InChI Key: | MSDPUMYPASVKQZ-UHFFFAOYSA-N |