N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide
Chemical Structure Depiction of
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide
Compound characteristics
| Compound ID: | Y031-6552 |
| Compound Name: | N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide |
| Molecular Weight: | 415.76 |
| Molecular Formula: | C16 H13 Cl F3 N5 O3 |
| Smiles: | CN1C(c2c(ncn2CC(Nc2cc(ccc2[Cl])C(F)(F)F)=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2314 |
| logD: | 2.1771 |
| logSw: | -3.2905 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.412 |
| InChI Key: | CMEZTEQDASHKOJ-UHFFFAOYSA-N |