2-{3-[(3-methoxyphenyl)methyl]-2,4-dioxo-3,4-dihydropteridin-1(2H)-yl}-N-[3-(methylsulfanyl)phenyl]acetamide
Chemical Structure Depiction of
2-{3-[(3-methoxyphenyl)methyl]-2,4-dioxo-3,4-dihydropteridin-1(2H)-yl}-N-[3-(methylsulfanyl)phenyl]acetamide
2-{3-[(3-methoxyphenyl)methyl]-2,4-dioxo-3,4-dihydropteridin-1(2H)-yl}-N-[3-(methylsulfanyl)phenyl]acetamide
Compound characteristics
| Compound ID: | F462-0720 |
| Compound Name: | 2-{3-[(3-methoxyphenyl)methyl]-2,4-dioxo-3,4-dihydropteridin-1(2H)-yl}-N-[3-(methylsulfanyl)phenyl]acetamide |
| Molecular Weight: | 463.51 |
| Molecular Formula: | C23 H21 N5 O4 S |
| Smiles: | COc1cccc(CN2C(c3c(nccn3)N(CC(Nc3cccc(c3)SC)=O)C2=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.2506 |
| logD: | 3.2506 |
| logSw: | -3.4926 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.2 |
| InChI Key: | HQPNTTVQRJVCTK-UHFFFAOYSA-N |