2-[(5-benzyl-4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-(4-bromophenyl)acetamide
Chemical Structure Depiction of
2-[(5-benzyl-4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-(4-bromophenyl)acetamide
2-[(5-benzyl-4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-(4-bromophenyl)acetamide
Compound characteristics
| Compound ID: | 4779-0033 |
| Compound Name: | 2-[(5-benzyl-4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-(4-bromophenyl)acetamide |
| Molecular Weight: | 444.35 |
| Molecular Formula: | C20 H18 Br N3 O2 S |
| Smiles: | CC1=C(Cc2ccccc2)C(NC(=N1)SCC(Nc1ccc(cc1)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9604 |
| logD: | 3.876 |
| logSw: | -4.0612 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.03 |
| InChI Key: | QBDYDTXVYPHCSV-UHFFFAOYSA-N |