methyl 4-{2-[(6-oxo-4-propyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
methyl 4-{2-[(6-oxo-4-propyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamido}benzoate
methyl 4-{2-[(6-oxo-4-propyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | 5742-1123 |
| Compound Name: | methyl 4-{2-[(6-oxo-4-propyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 361.42 |
| Molecular Formula: | C17 H19 N3 O4 S |
| Smiles: | CCCC1=CC(NC(=N1)SCC(Nc1ccc(cc1)C(=O)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.556 |
| logD: | 1.8507 |
| logSw: | -2.7929 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.23 |
| InChI Key: | PMODKFBPMPSXDK-UHFFFAOYSA-N |