2-({1,3-dimethyl-7-[(2-methylphenyl)methyl]-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)-N-(4-fluoro-3-methylphenyl)acetamide
Chemical Structure Depiction of
2-({1,3-dimethyl-7-[(2-methylphenyl)methyl]-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)-N-(4-fluoro-3-methylphenyl)acetamide
2-({1,3-dimethyl-7-[(2-methylphenyl)methyl]-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)-N-(4-fluoro-3-methylphenyl)acetamide
Compound characteristics
| Compound ID: | 6265-0057 |
| Compound Name: | 2-({1,3-dimethyl-7-[(2-methylphenyl)methyl]-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)-N-(4-fluoro-3-methylphenyl)acetamide |
| Molecular Weight: | 481.55 |
| Molecular Formula: | C24 H24 F N5 O3 S |
| Smiles: | Cc1ccccc1Cn1c2C(N(C)C(N(C)c2nc1SCC(Nc1ccc(c(C)c1)F)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0754 |
| logD: | 5.0753 |
| logSw: | -4.7956 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.164 |
| InChI Key: | IBZMMFSSFOLWON-UHFFFAOYSA-N |