2-[(7-benzyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-N-(4-fluorophenyl)acetamide
Chemical Structure Depiction of
2-[(7-benzyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-N-(4-fluorophenyl)acetamide
2-[(7-benzyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-N-(4-fluorophenyl)acetamide
Compound characteristics
| Compound ID: | 6265-0056 |
| Compound Name: | 2-[(7-benzyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-N-(4-fluorophenyl)acetamide |
| Molecular Weight: | 453.49 |
| Molecular Formula: | C22 H20 F N5 O3 S |
| Smiles: | CN1C(c2c(nc(n2Cc2ccccc2)SCC(Nc2ccc(cc2)F)=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8903 |
| logD: | 3.8902 |
| logSw: | -3.9377 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.164 |
| InChI Key: | HLOXXJUVDHNOPP-UHFFFAOYSA-N |