2-({7-[(3,4-diethoxyphenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide
Chemical Structure Depiction of
2-({7-[(3,4-diethoxyphenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide
2-({7-[(3,4-diethoxyphenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide
Compound characteristics
| Compound ID: | 8013-3067 |
| Compound Name: | 2-({7-[(3,4-diethoxyphenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide |
| Molecular Weight: | 607.61 |
| Molecular Formula: | C27 H28 F3 N5 O6 S |
| Smiles: | CCOc1ccc(Cn2c3C(N(C)C(N(C)c3nc2SCC(Nc2ccc(cc2)OC(F)(F)F)=O)=O)=O)cc1OCC |
| Stereo: | ACHIRAL |
| logP: | 5.1167 |
| logD: | 5.1167 |
| logSw: | -4.9977 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.521 |
| InChI Key: | SOOCOVMZRJNWEJ-UHFFFAOYSA-N |