2-({7-[(4-tert-butylphenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)-N-(2-phenylethyl)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-phenylethyl)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-phenylethyl)acetamide
Compound characteristics
| Compound ID: | 8012-7193 |
| 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-phenylethyl)acetamide |
| Molecular Weight: | 519.67 |
| Molecular Formula: | C28 H33 N5 O3 S |
| Smiles: | CC(C)(C)c1ccc(Cn2c3C(N(C)C(N(C)c3nc2SCC(NCCc2ccccc2)=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.1117 |
| logD: | 5.1117 |
| logSw: | -4.9511 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.328 |
| InChI Key: | RQLIMVRAHDQVTK-UHFFFAOYSA-N |