3-[(4-methylphenyl)methyl]-2-(methylsulfanyl)-8-nitro[1]benzothieno[3,2-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
3-[(4-methylphenyl)methyl]-2-(methylsulfanyl)-8-nitro[1]benzothieno[3,2-d]pyrimidin-4(3H)-one
3-[(4-methylphenyl)methyl]-2-(methylsulfanyl)-8-nitro[1]benzothieno[3,2-d]pyrimidin-4(3H)-one
Compound characteristics
Compound ID: | K263-0063 |
Compound Name: | 3-[(4-methylphenyl)methyl]-2-(methylsulfanyl)-8-nitro[1]benzothieno[3,2-d]pyrimidin-4(3H)-one |
Molecular Weight: | 397.47 |
Molecular Formula: | C19 H15 N3 O3 S2 |
Smiles: | Cc1ccc(CN2C(=Nc3c4cc(ccc4sc3C2=O)[N+]([O-])=O)SC)cc1 |
Stereo: | ACHIRAL |
logP: | 4.9982 |
logD: | 4.9982 |
logSw: | -4.7883 |
Hydrogen bond acceptors count: | 8 |
Polar surface area: | 57.919 |
InChI Key: | VIZGKYKSDZZUHZ-UHFFFAOYSA-N |