2-[1-{2-[(3-methoxypropyl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]-N-[(4-methylphenyl)methyl]acetamide
Chemical Structure Depiction of
2-[1-{2-[(3-methoxypropyl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]-N-[(4-methylphenyl)methyl]acetamide
2-[1-{2-[(3-methoxypropyl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]-N-[(4-methylphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | C241-1678 |
| Compound Name: | 2-[1-{2-[(3-methoxypropyl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]-N-[(4-methylphenyl)methyl]acetamide |
| Molecular Weight: | 458.54 |
| Molecular Formula: | C22 H26 N4 O5 S |
| Smiles: | Cc1ccc(CNC(CN2C(c3c(ccs3)N(CC(NCCCOC)=O)C2=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 1.5368 |
| logD: | 1.5368 |
| logSw: | -2.4271 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.684 |
| InChI Key: | KPPABAUCCWUQLR-UHFFFAOYSA-N |