N-(2-butoxyphenyl)-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-(2-butoxyphenyl)-2-({7-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetamide
N-(2-butoxyphenyl)-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: | 8014-2851 |
| Compound Name: | N-(2-butoxyphenyl)-2-({7-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetamide |
| Molecular Weight: | 525.6 |
| Molecular Formula: | C26 H28 F N5 O4 S |
| Smiles: | CCCCOc1ccccc1NC(CSc1nc2c(C(N(C)C(N2C)=O)=O)n1Cc1ccccc1F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4633 |
| logD: | 5.4633 |
| logSw: | -5.3237 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.971 |
| InChI Key: | FSICQLGUJKZESA-UHFFFAOYSA-N |