3-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[(3-methoxyphenyl)methyl]sulfanyl}pteridin-4(3H)-one
Chemical Structure Depiction of
3-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[(3-methoxyphenyl)methyl]sulfanyl}pteridin-4(3H)-one
3-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[(3-methoxyphenyl)methyl]sulfanyl}pteridin-4(3H)-one
Compound characteristics
| Compound ID: | E196-0291 |
| Compound Name: | 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[(3-methoxyphenyl)methyl]sulfanyl}pteridin-4(3H)-one |
| Molecular Weight: | 464.54 |
| Molecular Formula: | C24 H24 N4 O4 S |
| Smiles: | COc1cccc(CSC2=Nc3c(C(N2CCc2ccc(c(c2)OC)OC)=O)nccn3)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.341 |
| logD: | 3.341 |
| logSw: | -3.5211 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.087 |
| InChI Key: | PZOTWAUDXYAPRQ-UHFFFAOYSA-N |