(8-bromo-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetonitrile
Chemical Structure Depiction of
(8-bromo-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetonitrile
(8-bromo-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetonitrile
Compound characteristics
| Compound ID: | 8009-8463 |
| Compound Name: | (8-bromo-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetonitrile |
| Molecular Weight: | 298.1 |
| Molecular Formula: | C9 H8 Br N5 O2 |
| Smiles: | CN1C(c2c(nc(n2CC#N)[Br])N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.7876 |
| logD: | 0.7876 |
| logSw: | -0.5936 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 62.046 |
| InChI Key: | XYXCWYGSQAFTKC-UHFFFAOYSA-N |