N-(4-fluorophenyl)-2-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(4-fluorophenyl)-2-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetamide
N-(4-fluorophenyl)-2-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | D041-0002 |
| Compound Name: | N-(4-fluorophenyl)-2-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetamide |
| Molecular Weight: | 377.4 |
| Molecular Formula: | C16 H16 F N5 O3 S |
| Smiles: | CN1C(c2c(nc(n2C)SCC(Nc2ccc(cc2)F)=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1116 |
| logD: | 2.1115 |
| logSw: | -2.8783 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.246 |
| InChI Key: | HMCUYBHPLUSXRR-UHFFFAOYSA-N |