2-{[(3-methoxyphenyl)methyl]sulfanyl}-3-(2-phenylethyl)pteridin-4(3H)-one
Chemical Structure Depiction of
2-{[(3-methoxyphenyl)methyl]sulfanyl}-3-(2-phenylethyl)pteridin-4(3H)-one
2-{[(3-methoxyphenyl)methyl]sulfanyl}-3-(2-phenylethyl)pteridin-4(3H)-one
Compound characteristics
| Compound ID: | E196-0131 |
| Compound Name: | 2-{[(3-methoxyphenyl)methyl]sulfanyl}-3-(2-phenylethyl)pteridin-4(3H)-one |
| Molecular Weight: | 404.49 |
| Molecular Formula: | C22 H20 N4 O2 S |
| Smiles: | COc1cccc(CSC2=Nc3c(C(N2CCc2ccccc2)=O)nccn3)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.8239 |
| logD: | 3.8239 |
| logSw: | -3.9791 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.826 |
| InChI Key: | IRGNJYRQMHGILK-UHFFFAOYSA-N |