2-[(3-benzyl-4-oxo-3,4-dihydropteridin-2-yl)sulfanyl]-N-(4-bromophenyl)acetamide
Chemical Structure Depiction of
2-[(3-benzyl-4-oxo-3,4-dihydropteridin-2-yl)sulfanyl]-N-(4-bromophenyl)acetamide
2-[(3-benzyl-4-oxo-3,4-dihydropteridin-2-yl)sulfanyl]-N-(4-bromophenyl)acetamide
Compound characteristics
| Compound ID: | E196-0033 |
| Compound Name: | 2-[(3-benzyl-4-oxo-3,4-dihydropteridin-2-yl)sulfanyl]-N-(4-bromophenyl)acetamide |
| Molecular Weight: | 482.36 |
| Molecular Formula: | C21 H16 Br N5 O2 S |
| Smiles: | C(c1ccccc1)N1C(=Nc2c(C1=O)nccn2)SCC(Nc1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 3.9012 |
| logD: | 3.9012 |
| logSw: | -4.0727 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.453 |
| InChI Key: | JTLGCYLOOWFTCN-UHFFFAOYSA-N |