N-{4-[chloro(difluoro)methoxy]phenyl}-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-{4-[chloro(difluoro)methoxy]phenyl}-2-[(1,3-dimethyl-2,6-dioxo-7-{[3-(trifluoromethyl)phenyl]methyl}-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetamide
N-{4-[chloro(difluoro)methoxy]phenyl}-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: | 8017-1194 |
| Compound Name: | N-{4-[chloro(difluoro)methoxy]phenyl}-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: | 603.95 |
| Molecular Formula: | C24 H19 Cl F5 N5 O4 S |
| Smiles: | CN1C(c2c(nc(n2Cc2cccc(c2)C(F)(F)F)SCC(Nc2ccc(cc2)OC(F)(F)[Cl])=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6056 |
| logD: | 5.6056 |
| logSw: | -6.0858 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.661 |
| InChI Key: | PWKNPIBFWMIFAB-UHFFFAOYSA-N |