N-[2-(3,4-dimethoxyphenyl)ethyl]-2-({7-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-({7-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-({7-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | 8014-9080 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-2-({7-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetamide |
| Molecular Weight: | 541.6 |
| Molecular Formula: | C26 H28 F N5 O5 S |
| Smiles: | CN1C(c2c(nc(n2Cc2ccccc2F)SCC(NCCc2ccc(c(c2)OC)OC)=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1124 |
| logD: | 3.1124 |
| logSw: | -3.3894 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.589 |
| InChI Key: | FWSVZRJCNNFMSR-UHFFFAOYSA-N |