2-{1-[2-(2,5-dichloroanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}-N-(2-phenylethyl)acetamide
Chemical Structure Depiction of
2-{1-[2-(2,5-dichloroanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}-N-(2-phenylethyl)acetamide
2-{1-[2-(2,5-dichloroanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}-N-(2-phenylethyl)acetamide
Compound characteristics
| Compound ID: | C241-1752 |
| Compound Name: | 2-{1-[2-(2,5-dichloroanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}-N-(2-phenylethyl)acetamide |
| Molecular Weight: | 531.42 |
| Molecular Formula: | C24 H20 Cl2 N4 O4 S |
| Smiles: | C(CNC(CN1C(c2c(ccs2)N(CC(Nc2cc(ccc2[Cl])[Cl])=O)C1=O)=O)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.6344 |
| logD: | 3.6249 |
| logSw: | -3.976 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.05 |
| InChI Key: | BTXUDOLHDBIKPL-UHFFFAOYSA-N |