1-[(3-nitrophenyl)methyl]-3-[3-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
1-[(3-nitrophenyl)methyl]-3-[3-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
1-[(3-nitrophenyl)methyl]-3-[3-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | C241-0773 |
| Compound Name: | 1-[(3-nitrophenyl)methyl]-3-[3-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 447.39 |
| Molecular Formula: | C20 H12 F3 N3 O4 S |
| Smiles: | C(c1cccc(c1)[N+]([O-])=O)N1C(N(C(c2c1ccs2)=O)c1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.629 |
| logD: | 4.629 |
| logSw: | -4.7258 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.055 |
| InChI Key: | BCKHQCGRHMJYNU-UHFFFAOYSA-N |