N-{4-[chloro(difluoro)methoxy]phenyl}-2-{[7-(2-ethylhexyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-{4-[chloro(difluoro)methoxy]phenyl}-2-{[7-(2-ethylhexyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetamide
N-{4-[chloro(difluoro)methoxy]phenyl}-2-{[7-(2-ethylhexyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 8012-9105 |
| Compound Name: | N-{4-[chloro(difluoro)methoxy]phenyl}-2-{[7-(2-ethylhexyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetamide |
| Molecular Weight: | 558.05 |
| Molecular Formula: | C24 H30 Cl F2 N5 O4 S |
| Smiles: | CCCCC(CC)Cn1c2C(N(C)C(N(C)c2nc1SCC(Nc1ccc(cc1)OC(F)(F)[Cl])=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.6749 |
| logD: | 6.6749 |
| logSw: | -6.2719 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.933 |
| InChI Key: | OZFGMJDXWHDYHY-HNNXBMFYSA-N |