N-[(2-chlorophenyl)methyl]-6-{2,4-dioxo-1-[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}hexanamide
Chemical Structure Depiction of
N-[(2-chlorophenyl)methyl]-6-{2,4-dioxo-1-[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}hexanamide
N-[(2-chlorophenyl)methyl]-6-{2,4-dioxo-1-[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}hexanamide
Compound characteristics
| Compound ID: | C241-1610 |
| Compound Name: | N-[(2-chlorophenyl)methyl]-6-{2,4-dioxo-1-[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}hexanamide |
| Molecular Weight: | 564.06 |
| Molecular Formula: | C28 H26 Cl N5 O4 S |
| Smiles: | C(CCC(NCc1ccccc1[Cl])=O)CCN1C(c2c(ccs2)N(CC2=CC(N3C=CC=CC3=N2)=O)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.618 |
| logD: | 3.618 |
| logSw: | -3.7795 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.722 |
| InChI Key: | SYORHVVPXYYDNE-UHFFFAOYSA-N |