3-[(4-methoxyphenyl)methyl]-2-{[(3-nitrophenyl)methyl]sulfanyl}thieno[3,2-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
3-[(4-methoxyphenyl)methyl]-2-{[(3-nitrophenyl)methyl]sulfanyl}thieno[3,2-d]pyrimidin-4(3H)-one
3-[(4-methoxyphenyl)methyl]-2-{[(3-nitrophenyl)methyl]sulfanyl}thieno[3,2-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | K292-0302 |
| Compound Name: | 3-[(4-methoxyphenyl)methyl]-2-{[(3-nitrophenyl)methyl]sulfanyl}thieno[3,2-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 439.51 |
| Molecular Formula: | C21 H17 N3 O4 S2 |
| Smiles: | COc1ccc(CN2C(=Nc3ccsc3C2=O)SCc2cccc(c2)[N+]([O-])=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.8333 |
| logD: | 4.8333 |
| logSw: | -4.692 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.715 |
| InChI Key: | BXDSLYGECCAGLH-UHFFFAOYSA-N |