4-[(8-chloro-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)methyl]benzonitrile
Chemical Structure Depiction of
4-[(8-chloro-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)methyl]benzonitrile
4-[(8-chloro-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)methyl]benzonitrile
Compound characteristics
| Compound ID: | 8013-9180 |
| Compound Name: | 4-[(8-chloro-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)methyl]benzonitrile |
| Molecular Weight: | 329.74 |
| Molecular Formula: | C15 H12 Cl N5 O2 |
| Smiles: | CN1C(c2c(nc(n2Cc2ccc(C#N)cc2)[Cl])N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3492 |
| logD: | 2.3492 |
| logSw: | -3.1664 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 60.98 |
| InChI Key: | VZSSXMLXFLYGEB-UHFFFAOYSA-N |