N-{4-[chloro(difluoro)methoxy]phenyl}-2-({7-[(3,4-diethoxyphenyl)methyl]-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-[(3,4-diethoxyphenyl)methyl]-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-[(3,4-diethoxyphenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | 8013-3068 |
| Compound Name: | N-{4-[chloro(difluoro)methoxy]phenyl}-2-({7-[(3,4-diethoxyphenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetamide |
| Molecular Weight: | 624.06 |
| Molecular Formula: | C27 H28 Cl F2 N5 O6 S |
| Smiles: | CCOc1ccc(Cn2c3C(N(C)C(N(C)c3nc2SCC(Nc2ccc(cc2)OC(F)(F)[Cl])=O)=O)=O)cc1OCC |
| Stereo: | ACHIRAL |
| logP: | 4.913 |
| logD: | 4.913 |
| logSw: | -4.9384 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.082 |
| InChI Key: | QALQRYCEEANHQK-UHFFFAOYSA-N |