N-cycloheptyl-2-[(1,3-dimethyl-2,6-dioxo-7-{[3-(trifluoromethyl)phenyl]methyl}-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-cycloheptyl-2-[(1,3-dimethyl-2,6-dioxo-7-{[3-(trifluoromethyl)phenyl]methyl}-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetamide
N-cycloheptyl-2-[(1,3-dimethyl-2,6-dioxo-7-{[3-(trifluoromethyl)phenyl]methyl}-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | 8017-4483 |
| Compound Name: | N-cycloheptyl-2-[(1,3-dimethyl-2,6-dioxo-7-{[3-(trifluoromethyl)phenyl]methyl}-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetamide |
| Molecular Weight: | 523.58 |
| Molecular Formula: | C24 H28 F3 N5 O3 S |
| Smiles: | CN1C(c2c(nc(n2Cc2cccc(c2)C(F)(F)F)SCC(NC2CCCCCC2)=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0098 |
| logD: | 5.0098 |
| logSw: | -4.6706 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.543 |
| InChI Key: | YYBMDEPFMHPOGI-UHFFFAOYSA-N |