propyl 4-{2-[(2,6-dimethylpyrimidin-4-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
propyl 4-{2-[(2,6-dimethylpyrimidin-4-yl)sulfanyl]acetamido}benzoate
propyl 4-{2-[(2,6-dimethylpyrimidin-4-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | D306-0034 |
| Compound Name: | propyl 4-{2-[(2,6-dimethylpyrimidin-4-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 359.45 |
| Molecular Formula: | C18 H21 N3 O3 S |
| Smiles: | CCCOC(c1ccc(cc1)NC(CSc1cc(C)nc(C)n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.58 |
| logD: | 3.579 |
| logSw: | -3.626 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.515 |
| InChI Key: | GULHSCVIOSYFHX-UHFFFAOYSA-N |