3-{1-[(5-formyl-2-methoxyphenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}-N-[(furan-2-yl)methyl]propanamide
Chemical Structure Depiction of
3-{1-[(5-formyl-2-methoxyphenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}-N-[(furan-2-yl)methyl]propanamide
3-{1-[(5-formyl-2-methoxyphenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}-N-[(furan-2-yl)methyl]propanamide
Compound characteristics
| Compound ID: | C241-1492 |
| Compound Name: | 3-{1-[(5-formyl-2-methoxyphenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}-N-[(furan-2-yl)methyl]propanamide |
| Molecular Weight: | 467.5 |
| Molecular Formula: | C23 H21 N3 O6 S |
| Smiles: | COc1ccc(C=O)cc1CN1C(N(CCC(NCc2ccco2)=O)C(c2c1ccs2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.987 |
| logD: | 2.987 |
| logSw: | -3.4272 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.273 |
| InChI Key: | AOTKMWNFJKEROP-UHFFFAOYSA-N |