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 |