3-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[(3-nitrophenyl)methyl]sulfanyl}thieno[3,2-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
3-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[(3-nitrophenyl)methyl]sulfanyl}thieno[3,2-d]pyrimidin-4(3H)-one
3-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[(3-nitrophenyl)methyl]sulfanyl}thieno[3,2-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | K292-0719 |
| Compound Name: | 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[(3-nitrophenyl)methyl]sulfanyl}thieno[3,2-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 483.56 |
| Molecular Formula: | C23 H21 N3 O5 S2 |
| Smiles: | COc1ccc(CCN2C(=Nc3ccsc3C2=O)SCc2cccc(c2)[N+]([O-])=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 4.4671 |
| logD: | 4.4671 |
| logSw: | -4.4108 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 75.41 |
| InChI Key: | SWMALSNMIPZWDE-UHFFFAOYSA-N |