2-({7-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)-N-(3,4,5-trimethoxyphenyl)acetamide
Chemical Structure Depiction of
2-({7-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)-N-(3,4,5-trimethoxyphenyl)acetamide
2-({7-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)-N-(3,4,5-trimethoxyphenyl)acetamide
Compound characteristics
| Compound ID: | 8016-2616 |
| Compound Name: | 2-({7-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)-N-(3,4,5-trimethoxyphenyl)acetamide |
| Molecular Weight: | 543.57 |
| Molecular Formula: | C25 H26 F N5 O6 S |
| Smiles: | CN1C(c2c(nc(n2Cc2ccccc2F)SCC(Nc2cc(c(c(c2)OC)OC)OC)=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5198 |
| logD: | 3.5195 |
| logSw: | -3.8373 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.142 |
| InChI Key: | WBGIBRSWCABKGM-UHFFFAOYSA-N |