2-(3-benzyl-2,4-dioxo-3,4-dihydropteridin-1(2H)-yl)-N-[3-(methylsulfanyl)phenyl]acetamide
Chemical Structure Depiction of
2-(3-benzyl-2,4-dioxo-3,4-dihydropteridin-1(2H)-yl)-N-[3-(methylsulfanyl)phenyl]acetamide
2-(3-benzyl-2,4-dioxo-3,4-dihydropteridin-1(2H)-yl)-N-[3-(methylsulfanyl)phenyl]acetamide
Compound characteristics
| Compound ID: | F462-0041 |
| Compound Name: | 2-(3-benzyl-2,4-dioxo-3,4-dihydropteridin-1(2H)-yl)-N-[3-(methylsulfanyl)phenyl]acetamide |
| Molecular Weight: | 433.49 |
| Molecular Formula: | C22 H19 N5 O3 S |
| Smiles: | CSc1cccc(c1)NC(CN1C(N(Cc2ccccc2)C(c2c1nccn2)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1952 |
| logD: | 3.1952 |
| logSw: | -3.3698 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.656 |
| InChI Key: | IATHZWVNXHZGTE-UHFFFAOYSA-N |