propyl 3-{2-[(2-methyl-6-phenylpyrimidin-4-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
propyl 3-{2-[(2-methyl-6-phenylpyrimidin-4-yl)sulfanyl]acetamido}benzoate
propyl 3-{2-[(2-methyl-6-phenylpyrimidin-4-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | D306-0031 |
| Compound Name: | propyl 3-{2-[(2-methyl-6-phenylpyrimidin-4-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 421.52 |
| Molecular Formula: | C23 H23 N3 O3 S |
| Smiles: | CCCOC(c1cccc(c1)NC(CSc1cc(c2ccccc2)nc(C)n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6674 |
| logD: | 5.6665 |
| logSw: | -5.4156 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.438 |
| InChI Key: | LADMGMLOPSKAMM-UHFFFAOYSA-N |