3-[8-(benzylamino)-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]propanenitrile
Chemical Structure Depiction of
3-[8-(benzylamino)-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]propanenitrile
3-[8-(benzylamino)-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]propanenitrile
Compound characteristics
| Compound ID: | 4236-1034F |
| Compound Name: | 3-[8-(benzylamino)-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]propanenitrile |
| Molecular Weight: | 338.37 |
| Molecular Formula: | C17 H18 N6 O2 |
| Smiles: | CN1C(c2c(nc(NCc3ccccc3)n2CCC#N)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6165 |
| logD: | 1.6151 |
| logSw: | -1.8186 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.588 |
| InChI Key: | OQAQHZJRNNDWIH-UHFFFAOYSA-N |