N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{1-[(4-nitrophenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}butanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{1-[(4-nitrophenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}butanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{1-[(4-nitrophenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}butanamide
Compound characteristics
Compound ID: | C241-1408 |
Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{1-[(4-nitrophenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}butanamide |
Molecular Weight: | 522.54 |
Molecular Formula: | C25 H22 N4 O7 S |
Smiles: | C(CC(NCc1ccc2c(c1)OCO2)=O)CN1C(c2c(ccs2)N(Cc2ccc(cc2)[N+]([O-])=O)C1=O)=O |
Stereo: | ACHIRAL |
logP: | 3.3959 |
logD: | 3.3959 |
logSw: | -3.8724 |
Hydrogen bond acceptors count: | 12 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 107.232 |
InChI Key: | ZYSCVGLJZSJXJA-UHFFFAOYSA-N |