N-(3,4-difluorophenyl)-2-({7-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-(3,4-difluorophenyl)-2-({7-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetamide
N-(3,4-difluorophenyl)-2-({7-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | 8016-1965 |
| Compound Name: | N-(3,4-difluorophenyl)-2-({7-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetamide |
| Molecular Weight: | 489.47 |
| Molecular Formula: | C22 H18 F3 N5 O3 S |
| Smiles: | CN1C(c2c(nc(n2Cc2ccccc2F)SCC(Nc2ccc(c(c2)F)F)=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4959 |
| logD: | 4.4882 |
| logSw: | -4.2871 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.164 |
| InChI Key: | ZOYCSVGGRWJFHW-UHFFFAOYSA-N |