N-(2-benzoyl-4-chlorophenyl)-2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide
Chemical Structure Depiction of
N-(2-benzoyl-4-chlorophenyl)-2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide
N-(2-benzoyl-4-chlorophenyl)-2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide
Compound characteristics
| Compound ID: | Y032-0325 |
| Compound Name: | N-(2-benzoyl-4-chlorophenyl)-2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide |
| Molecular Weight: | 451.87 |
| Molecular Formula: | C22 H18 Cl N5 O4 |
| Smiles: | CN1C(c2c(ncn2CC(Nc2ccc(cc2C(c2ccccc2)=O)[Cl])=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6112 |
| logD: | 2.6037 |
| logSw: | -3.6281 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.879 |
| InChI Key: | FYHPDVRYOSTEDD-UHFFFAOYSA-N |