2-({7-[(4-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)-N-(4-fluorophenyl)acetamide
Chemical Structure Depiction of
2-({7-[(4-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)-N-(4-fluorophenyl)acetamide
2-({7-[(4-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)-N-(4-fluorophenyl)acetamide
Compound characteristics
| Compound ID: | 5941-1199 |
| Compound Name: | 2-({7-[(4-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)-N-(4-fluorophenyl)acetamide |
| Molecular Weight: | 487.94 |
| Molecular Formula: | C22 H19 Cl F N5 O3 S |
| Smiles: | CN1C(c2c(nc(n2Cc2ccc(cc2)[Cl])SCC(Nc2ccc(cc2)F)=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.485 |
| logD: | 4.4849 |
| logSw: | -4.592 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.164 |
| InChI Key: | LCKUSGMZQCVRFY-UHFFFAOYSA-N |