N-(2-cyanophenyl)-2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide
Chemical Structure Depiction of
N-(2-cyanophenyl)-2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide
N-(2-cyanophenyl)-2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide
Compound characteristics
| Compound ID: | Y032-0516 |
| Compound Name: | N-(2-cyanophenyl)-2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide |
| Molecular Weight: | 338.32 |
| Molecular Formula: | C16 H14 N6 O3 |
| Smiles: | CN1C(c2c(ncn2CC(Nc2ccccc2C#N)=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.4236 |
| logD: | 0.422 |
| logSw: | -2.3718 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.468 |
| InChI Key: | CQVFBCMLOUFEIH-UHFFFAOYSA-N |