5,6-dimethyl-1-[(4-nitrophenyl)methyl]-3-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
5,6-dimethyl-1-[(4-nitrophenyl)methyl]-3-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
5,6-dimethyl-1-[(4-nitrophenyl)methyl]-3-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | C242-1098 |
| Compound Name: | 5,6-dimethyl-1-[(4-nitrophenyl)methyl]-3-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 475.44 |
| Molecular Formula: | C22 H16 F3 N3 O4 S |
| Smiles: | Cc1c2C(N(C(N(Cc3ccc(cc3)[N+]([O-])=O)c2sc1C)=O)c1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3813 |
| logD: | 5.3813 |
| logSw: | -5.6418 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.489 |
| InChI Key: | YJYOIXAMUTUYCY-UHFFFAOYSA-N |