1,3-dimethyl-5-(3-nitrophenyl)-6-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Chemical Structure Depiction of
1,3-dimethyl-5-(3-nitrophenyl)-6-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
1,3-dimethyl-5-(3-nitrophenyl)-6-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Compound characteristics
| Compound ID: | D077-0392 |
| Compound Name: | 1,3-dimethyl-5-(3-nitrophenyl)-6-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione |
| Molecular Weight: | 444.37 |
| Molecular Formula: | C21 H15 F3 N4 O4 |
| Smiles: | CN1C(c2c(cn(c3cccc(c3)C(F)(F)F)c2c2cccc(c2)[N+]([O-])=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3874 |
| logD: | 4.3874 |
| logSw: | -4.5542 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 66.169 |
| InChI Key: | AOGSRLBAOYUPOH-UHFFFAOYSA-N |