2-{[(3-methoxyphenyl)methyl]sulfanyl}-3-[(thiophen-2-yl)methyl]pteridin-4(3H)-one
Chemical Structure Depiction of
2-{[(3-methoxyphenyl)methyl]sulfanyl}-3-[(thiophen-2-yl)methyl]pteridin-4(3H)-one
2-{[(3-methoxyphenyl)methyl]sulfanyl}-3-[(thiophen-2-yl)methyl]pteridin-4(3H)-one
Compound characteristics
| Compound ID: | E196-0433 |
| Compound Name: | 2-{[(3-methoxyphenyl)methyl]sulfanyl}-3-[(thiophen-2-yl)methyl]pteridin-4(3H)-one |
| Molecular Weight: | 396.49 |
| Molecular Formula: | C19 H16 N4 O2 S2 |
| Smiles: | COc1cccc(CSC2=Nc3c(C(N2Cc2cccs2)=O)nccn3)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.3812 |
| logD: | 3.3812 |
| logSw: | -3.6427 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.866 |
| InChI Key: | CUVXHMHUBLJPIE-UHFFFAOYSA-N |