2-({1-[(2,4-dichlorophenyl)methyl]-3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide
Chemical Structure Depiction of
2-({1-[(2,4-dichlorophenyl)methyl]-3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide
2-({1-[(2,4-dichlorophenyl)methyl]-3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide
Compound characteristics
| Compound ID: | 8013-0323 |
| Compound Name: | 2-({1-[(2,4-dichlorophenyl)methyl]-3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide |
| Molecular Weight: | 588.39 |
| Molecular Formula: | C23 H18 Cl2 F3 N5 O4 S |
| Smiles: | CN1C(N(Cc2ccc(cc2[Cl])[Cl])C(c2c1nc(n2C)SCC(Nc1ccc(cc1)OC(F)(F)F)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8297 |
| logD: | 5.8297 |
| logSw: | -5.9711 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.145 |
| InChI Key: | XJIMXLJEXSEPPW-UHFFFAOYSA-N |