1-[(2-chloro-4-fluorophenyl)methyl]-5,6-dimethyl-3-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
1-[(2-chloro-4-fluorophenyl)methyl]-5,6-dimethyl-3-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
1-[(2-chloro-4-fluorophenyl)methyl]-5,6-dimethyl-3-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | C242-1100 |
| Compound Name: | 1-[(2-chloro-4-fluorophenyl)methyl]-5,6-dimethyl-3-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 482.88 |
| Molecular Formula: | C22 H15 Cl F4 N2 O2 S |
| Smiles: | Cc1c2C(N(C(N(Cc3ccc(cc3[Cl])F)c2sc1C)=O)c1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1805 |
| logD: | 6.1805 |
| logSw: | -6.3419 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 31.107 |
| InChI Key: | VYODPINVJAFCOG-UHFFFAOYSA-N |