N-[(2-chlorophenyl)methyl]-2-{1-[(6-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}acetamide
Chemical Structure Depiction of
N-[(2-chlorophenyl)methyl]-2-{1-[(6-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}acetamide
N-[(2-chlorophenyl)methyl]-2-{1-[(6-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}acetamide
Compound characteristics
Compound ID: | C241-1836 |
Compound Name: | N-[(2-chlorophenyl)methyl]-2-{1-[(6-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}acetamide |
Molecular Weight: | 521.98 |
Molecular Formula: | C25 H20 Cl N5 O4 S |
Smiles: | CC1=CC=CC2=NC(CN3C(N(CC(NCc4ccccc4[Cl])=O)C(c4c3ccs4)=O)=O)=CC(N12)=O |
Stereo: | ACHIRAL |
logP: | 2.9539 |
logD: | 2.9539 |
logSw: | -3.4371 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 82.408 |
InChI Key: | VNRVZLRTYXYHTA-UHFFFAOYSA-N |