2-[(1,3-dimethyl-2,6-dioxo-7-{[3-(trifluoromethyl)phenyl]methyl}-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-N-(4-ethylphenyl)acetamide
Chemical Structure Depiction of
2-[(1,3-dimethyl-2,6-dioxo-7-{[3-(trifluoromethyl)phenyl]methyl}-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-N-(4-ethylphenyl)acetamide
2-[(1,3-dimethyl-2,6-dioxo-7-{[3-(trifluoromethyl)phenyl]methyl}-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-N-(4-ethylphenyl)acetamide
Compound characteristics
| Compound ID: | 8016-6706 |
| Compound Name: | 2-[(1,3-dimethyl-2,6-dioxo-7-{[3-(trifluoromethyl)phenyl]methyl}-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-N-(4-ethylphenyl)acetamide |
| Molecular Weight: | 531.56 |
| Molecular Formula: | C25 H24 F3 N5 O3 S |
| Smiles: | CCc1ccc(cc1)NC(CSc1nc2c(C(N(C)C(N2C)=O)=O)n1Cc1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5486 |
| logD: | 5.5486 |
| logSw: | -5.4422 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.164 |
| InChI Key: | ASEPWYLKHNUTRZ-UHFFFAOYSA-N |