4-[(8-methoxy-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)methyl]benzonitrile
Chemical Structure Depiction of
4-[(8-methoxy-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)methyl]benzonitrile
4-[(8-methoxy-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)methyl]benzonitrile
Compound characteristics
| Compound ID: | C406-0091 |
| Compound Name: | 4-[(8-methoxy-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)methyl]benzonitrile |
| Molecular Weight: | 325.32 |
| Molecular Formula: | C16 H15 N5 O3 |
| Smiles: | CN1C(c2c(nc(n2Cc2ccc(C#N)cc2)OC)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1183 |
| logD: | 2.1182 |
| logSw: | -2.5597 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 67.605 |
| InChI Key: | MCRRNLHHEMWDBA-UHFFFAOYSA-N |