3-benzyl-2-{[(4-nitrophenyl)methyl]sulfanyl}thieno[3,2-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
3-benzyl-2-{[(4-nitrophenyl)methyl]sulfanyl}thieno[3,2-d]pyrimidin-4(3H)-one
3-benzyl-2-{[(4-nitrophenyl)methyl]sulfanyl}thieno[3,2-d]pyrimidin-4(3H)-one
Compound characteristics
Compound ID: | K292-0564 |
Compound Name: | 3-benzyl-2-{[(4-nitrophenyl)methyl]sulfanyl}thieno[3,2-d]pyrimidin-4(3H)-one |
Molecular Weight: | 409.48 |
Molecular Formula: | C20 H15 N3 O3 S2 |
Smiles: | C(c1ccccc1)N1C(=Nc2ccsc2C1=O)SCc1ccc(cc1)[N+]([O-])=O |
Stereo: | ACHIRAL |
logP: | 4.6369 |
logD: | 4.6369 |
logSw: | -4.6221 |
Hydrogen bond acceptors count: | 8 |
Polar surface area: | 60.171 |
InChI Key: | AMIVAXMYUDABRJ-UHFFFAOYSA-N |