3-{1-[2-(3-chloroanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}-N-[(2-chlorophenyl)methyl]propanamide
Chemical Structure Depiction of
3-{1-[2-(3-chloroanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}-N-[(2-chlorophenyl)methyl]propanamide
3-{1-[2-(3-chloroanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}-N-[(2-chlorophenyl)methyl]propanamide
Compound characteristics
| Compound ID: | C241-2068 |
| Compound Name: | 3-{1-[2-(3-chloroanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}-N-[(2-chlorophenyl)methyl]propanamide |
| Molecular Weight: | 531.42 |
| Molecular Formula: | C24 H20 Cl2 N4 O4 S |
| Smiles: | C(CN1C(c2c(ccs2)N(CC(Nc2cccc(c2)[Cl])=O)C1=O)=O)C(NCc1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.7518 |
| logD: | 4.7517 |
| logSw: | -4.8687 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.884 |
| InChI Key: | SVMOZPATQYXJKG-UHFFFAOYSA-N |