N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{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}butanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{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}butanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{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}butanamide
Compound characteristics
| Compound ID: | C241-1399 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{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}butanamide |
| Molecular Weight: | 545.57 |
| Molecular Formula: | C27 H23 N5 O6 S |
| Smiles: | C(CC(NCc1ccc2c(c1)OCO2)=O)CN1C(c2c(ccs2)N(CC2=CC(N3C=CC=CC3=N2)=O)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.739 |
| logD: | 1.739 |
| logSw: | -2.5814 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.837 |
| InChI Key: | RPVRZUOSCJLECL-UHFFFAOYSA-N |