2-{[(3-chlorophenyl)methyl]sulfanyl}-3-[2-(3,4-dimethoxyphenyl)ethyl]pteridin-4(3H)-one
Chemical Structure Depiction of
2-{[(3-chlorophenyl)methyl]sulfanyl}-3-[2-(3,4-dimethoxyphenyl)ethyl]pteridin-4(3H)-one
2-{[(3-chlorophenyl)methyl]sulfanyl}-3-[2-(3,4-dimethoxyphenyl)ethyl]pteridin-4(3H)-one
Compound characteristics
| Compound ID: | E196-0276 |
| Compound Name: | 2-{[(3-chlorophenyl)methyl]sulfanyl}-3-[2-(3,4-dimethoxyphenyl)ethyl]pteridin-4(3H)-one |
| Molecular Weight: | 468.96 |
| Molecular Formula: | C23 H21 Cl N4 O3 S |
| Smiles: | COc1ccc(CCN2C(=Nc3c(C2=O)nccn3)SCc2cccc(c2)[Cl])cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.941 |
| logD: | 3.941 |
| logSw: | -4.2743 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.543 |
| InChI Key: | CWRLHROUFOCHJK-UHFFFAOYSA-N |