N-(3-chloro-4-cyanophenyl)-2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide
Chemical Structure Depiction of
N-(3-chloro-4-cyanophenyl)-2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide
N-(3-chloro-4-cyanophenyl)-2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide
Compound characteristics
| Compound ID: | 3136-0170 |
| Compound Name: | N-(3-chloro-4-cyanophenyl)-2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide |
| Molecular Weight: | 372.77 |
| Molecular Formula: | C16 H13 Cl N6 O3 |
| Smiles: | CN1C(c2c(ncn2CC(Nc2ccc(C#N)c(c2)[Cl])=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4357 |
| logD: | 1.3986 |
| logSw: | -3.0546 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.166 |
| InChI Key: | UEZLPTVTOXODPE-UHFFFAOYSA-N |