3-[(4-methoxyphenyl)methyl]-2-(methylsulfanyl)-8-nitro[1]benzothieno[3,2-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
3-[(4-methoxyphenyl)methyl]-2-(methylsulfanyl)-8-nitro[1]benzothieno[3,2-d]pyrimidin-4(3H)-one
3-[(4-methoxyphenyl)methyl]-2-(methylsulfanyl)-8-nitro[1]benzothieno[3,2-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | K263-0033 |
| Compound Name: | 3-[(4-methoxyphenyl)methyl]-2-(methylsulfanyl)-8-nitro[1]benzothieno[3,2-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 413.47 |
| Molecular Formula: | C19 H15 N3 O4 S2 |
| Smiles: | COc1ccc(CN2C(=Nc3c4cc(ccc4sc3C2=O)[N+]([O-])=O)SC)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.5572 |
| logD: | 4.5572 |
| logSw: | -4.4848 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.463 |
| InChI Key: | BEGZSUFPIDICLG-UHFFFAOYSA-N |