N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-{1-[2-(2-fluoroanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}hexanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-{1-[2-(2-fluoroanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}hexanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-{1-[2-(2-fluoroanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}hexanamide
Compound characteristics
Compound ID: | C241-1627 |
Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-{1-[2-(2-fluoroanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}hexanamide |
Molecular Weight: | 566.61 |
Molecular Formula: | C28 H27 F N4 O6 S |
Smiles: | C(CCC(NCc1ccc2c(c1)OCO2)=O)CCN1C(c2c(ccs2)N(CC(Nc2ccccc2F)=O)C1=O)=O |
Stereo: | ACHIRAL |
logP: | 3.6663 |
logD: | 3.6662 |
logSw: | -3.9449 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 96.302 |
InChI Key: | CSIRDOISTNRSOB-UHFFFAOYSA-N |