3-[(4-methylphenyl)methyl]-8-nitro-2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}[1]benzothieno[3,2-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
3-[(4-methylphenyl)methyl]-8-nitro-2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}[1]benzothieno[3,2-d]pyrimidin-4(3H)-one
3-[(4-methylphenyl)methyl]-8-nitro-2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}[1]benzothieno[3,2-d]pyrimidin-4(3H)-one
Compound characteristics
Compound ID: | K263-0040 |
Compound Name: | 3-[(4-methylphenyl)methyl]-8-nitro-2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}[1]benzothieno[3,2-d]pyrimidin-4(3H)-one |
Molecular Weight: | 494.59 |
Molecular Formula: | C24 H22 N4 O4 S2 |
Smiles: | Cc1ccc(CN2C(=Nc3c4cc(ccc4sc3C2=O)[N+]([O-])=O)SCC(N2CCCC2)=O)cc1 |
Stereo: | ACHIRAL |
logP: | 4.9677 |
logD: | 4.9677 |
logSw: | -4.7876 |
Hydrogen bond acceptors count: | 10 |
Polar surface area: | 74.406 |
InChI Key: | ISSZLLZVFXSARN-UHFFFAOYSA-N |