2-({7-[(4-tert-butylphenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)-N-(2-fluorophenyl)acetamide
Chemical Structure Depiction of
2-({7-[(4-tert-butylphenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)-N-(2-fluorophenyl)acetamide
2-({7-[(4-tert-butylphenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)-N-(2-fluorophenyl)acetamide
Compound characteristics
| Compound ID: | 8015-0544 |
| Compound Name: | 2-({7-[(4-tert-butylphenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)-N-(2-fluorophenyl)acetamide |
| Molecular Weight: | 509.6 |
| Molecular Formula: | C26 H28 F N5 O3 S |
| Smiles: | CC(C)(C)c1ccc(Cn2c3C(N(C)C(N(C)c3nc2SCC(Nc2ccccc2F)=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.4358 |
| logD: | 5.4357 |
| logSw: | -5.3651 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.466 |
| InChI Key: | HRXSEJQARYDVJT-UHFFFAOYSA-N |