propyl 4-{2-[(6-phenylpyrimidin-4-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
propyl 4-{2-[(6-phenylpyrimidin-4-yl)sulfanyl]acetamido}benzoate
propyl 4-{2-[(6-phenylpyrimidin-4-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | D306-0033 |
| Compound Name: | propyl 4-{2-[(6-phenylpyrimidin-4-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 407.49 |
| Molecular Formula: | C22 H21 N3 O3 S |
| Smiles: | CCCOC(c1ccc(cc1)NC(CSc1cc(c2ccccc2)ncn1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1344 |
| logD: | 5.1342 |
| logSw: | -5.0631 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.063 |
| InChI Key: | KIGLQLRDYWKMEL-UHFFFAOYSA-N |