3-(3,4-dichlorophenyl)-N,N-diethyl-1-[2-(4-fluoroanilino)-2-oxoethyl]-5-methyl-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxamide
Chemical Structure Depiction of
3-(3,4-dichlorophenyl)-N,N-diethyl-1-[2-(4-fluoroanilino)-2-oxoethyl]-5-methyl-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxamide
3-(3,4-dichlorophenyl)-N,N-diethyl-1-[2-(4-fluoroanilino)-2-oxoethyl]-5-methyl-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | K305-0242 |
| Compound Name: | 3-(3,4-dichlorophenyl)-N,N-diethyl-1-[2-(4-fluoroanilino)-2-oxoethyl]-5-methyl-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxamide |
| Molecular Weight: | 577.46 |
| Molecular Formula: | C26 H23 Cl2 F N4 O4 S |
| Smiles: | CCN(CC)C(c1c(C)c2C(N(C(N(CC(Nc3ccc(cc3)F)=O)c2s1)=O)c1ccc(c(c1)[Cl])[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9754 |
| logD: | 4.9753 |
| logSw: | -5.373 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.188 |
| InChI Key: | MYSSINFUUDVFLI-UHFFFAOYSA-N |