N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{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}butanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{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}butanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{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}butanamide
Compound characteristics
| Compound ID: | C241-1418 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{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}butanamide |
| Molecular Weight: | 559.6 |
| Molecular Formula: | C28 H25 N5 O6 S |
| Smiles: | CC1=CC=CC2=NC(CN3C(N(CCCC(NCc4ccc5c(c4)OCO5)=O)C(c4c3ccs4)=O)=O)=CC(N12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0458 |
| logD: | 2.0458 |
| logSw: | -2.8719 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.502 |
| InChI Key: | CRXFXAUYIYZJDC-UHFFFAOYSA-N |