1-methyl-4-(3-nitrophenyl)-6-[3-(trifluoromethyl)phenyl]-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione
Chemical Structure Depiction of
1-methyl-4-(3-nitrophenyl)-6-[3-(trifluoromethyl)phenyl]-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione
1-methyl-4-(3-nitrophenyl)-6-[3-(trifluoromethyl)phenyl]-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione
Compound characteristics
| Compound ID: | 8017-9546 |
| Compound Name: | 1-methyl-4-(3-nitrophenyl)-6-[3-(trifluoromethyl)phenyl]-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione |
| Molecular Weight: | 432.36 |
| Molecular Formula: | C20 H15 F3 N4 O4 |
| Smiles: | CN1C2CN(C(C=2C(c2cccc(c2)[N+]([O-])=O)NC1=O)=O)c1cccc(c1)C(F)(F)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1976 |
| logD: | 2.0234 |
| logSw: | -3.5321 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.438 |
| InChI Key: | QIOZFLAOXUPHSQ-QGZVFWFLSA-N |