N-[2-(trifluoromethyl)phenyl]-2-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-[2-(trifluoromethyl)phenyl]-2-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]acetamide
N-[2-(trifluoromethyl)phenyl]-2-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | G856-8447 |
| Compound Name: | N-[2-(trifluoromethyl)phenyl]-2-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]acetamide |
| Molecular Weight: | 427.4 |
| Molecular Formula: | C17 H16 F3 N5 O3 S |
| Smiles: | CN1C(c2c(N(C)C1=O)n(C)c(n2)SCC(Nc1ccccc1C(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5982 |
| logD: | 2.5982 |
| logSw: | -3.4583 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.491 |
| InChI Key: | HUACSTSHIKHRDS-UHFFFAOYSA-N |