1-[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-3-(3,4-dichlorophenyl)-N,N,5-trimethyl-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxamide
Chemical Structure Depiction of
1-[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-3-(3,4-dichlorophenyl)-N,N,5-trimethyl-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxamide
1-[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-3-(3,4-dichlorophenyl)-N,N,5-trimethyl-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | K305-0048 |
| Compound Name: | 1-[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-3-(3,4-dichlorophenyl)-N,N,5-trimethyl-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxamide |
| Molecular Weight: | 628.3 |
| Molecular Formula: | C24 H18 Br Cl2 F N4 O4 S |
| Smiles: | Cc1c2C(N(C(N(CC(Nc3ccc(cc3F)[Br])=O)c2sc1C(N(C)C)=O)=O)c1ccc(c(c1)[Cl])[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.5725 |
| logD: | 4.5674 |
| logSw: | -4.7468 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.559 |
| InChI Key: | XXXUBCQRFCOQOY-UHFFFAOYSA-N |