2-({7-[(4-tert-butylphenyl)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-[(4-tert-butylphenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide
2-({7-[(4-tert-butylphenyl)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: | 8012-7195 |
| 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-[4-(trifluoromethoxy)phenyl]acetamide |
| Molecular Weight: | 575.61 |
| Molecular Formula: | C27 H28 F3 N5 O4 S |
| Smiles: | CC(C)(C)c1ccc(Cn2c3C(N(C)C(N(C)c3nc2SCC(Nc2ccc(cc2)OC(F)(F)F)=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.8469 |
| logD: | 6.8469 |
| logSw: | -5.6506 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.101 |
| InChI Key: | HESGQBJTSYQBPN-UHFFFAOYSA-N |