2-{1-[(2-chloro-4-fluorophenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}-N-[(2-chlorophenyl)methyl]acetamide
Chemical Structure Depiction of
2-{1-[(2-chloro-4-fluorophenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}-N-[(2-chlorophenyl)methyl]acetamide
2-{1-[(2-chloro-4-fluorophenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}-N-[(2-chlorophenyl)methyl]acetamide
Compound characteristics
| Compound ID: | C241-1864 |
| Compound Name: | 2-{1-[(2-chloro-4-fluorophenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}-N-[(2-chlorophenyl)methyl]acetamide |
| Molecular Weight: | 492.35 |
| Molecular Formula: | C22 H16 Cl2 F N3 O3 S |
| Smiles: | C(c1ccccc1[Cl])NC(CN1C(c2c(ccs2)N(Cc2ccc(cc2[Cl])F)C1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1031 |
| logD: | 5.1031 |
| logSw: | -5.5968 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.757 |
| InChI Key: | XUBKKQLTKZDLAD-UHFFFAOYSA-N |