1-[(2-fluorophenyl)methyl]-3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purine-8-carbonitrile
Chemical Structure Depiction of
1-[(2-fluorophenyl)methyl]-3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purine-8-carbonitrile
1-[(2-fluorophenyl)methyl]-3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purine-8-carbonitrile
Compound characteristics
| Compound ID: | 8010-0967 |
| Compound Name: | 1-[(2-fluorophenyl)methyl]-3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purine-8-carbonitrile |
| Molecular Weight: | 313.29 |
| Molecular Formula: | C15 H12 F N5 O2 |
| Smiles: | CN1C(N(Cc2ccccc2F)C(c2c1nc(C#N)n2C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7782 |
| logD: | 1.7782 |
| logSw: | -2.0657 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 61.781 |
| InChI Key: | JPILHSIAVOJLFM-UHFFFAOYSA-N |