N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{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}propanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{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}propanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{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}propanamide
Compound characteristics
| Compound ID: | C241-1329 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{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}propanamide |
| Molecular Weight: | 545.57 |
| Molecular Formula: | C27 H23 N5 O6 S |
| Smiles: | CC1=CC=CC2=NC(CN3C(N(CCC(NCc4ccc5c(c4)OCO5)=O)C(c4c3ccs4)=O)=O)=CC(N12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.299 |
| logD: | 2.299 |
| logSw: | -2.9179 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.502 |
| InChI Key: | ZOJICJHPJKMBMV-UHFFFAOYSA-N |