2-[(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)methyl]benzonitrile
Chemical Structure Depiction of
2-[(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)methyl]benzonitrile
2-[(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)methyl]benzonitrile
Compound characteristics
| Compound ID: | 4004-0311 |
| Compound Name: | 2-[(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)methyl]benzonitrile |
| Molecular Weight: | 295.3 |
| Molecular Formula: | C15 H13 N5 O2 |
| Smiles: | CN1C(c2c(ncn2Cc2ccccc2C#N)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2056 |
| logD: | 1.2056 |
| logSw: | -2.2317 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 60.017 |
| InChI Key: | GQKASNUZVOCVDJ-UHFFFAOYSA-N |