N-cyclohexyl-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-cyclohexyl-2-({7-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetamide
N-cyclohexyl-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: | 7182-0088 |
| Compound Name: | N-cyclohexyl-2-({7-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetamide |
| Molecular Weight: | 459.54 |
| Molecular Formula: | C22 H26 F N5 O3 S |
| Smiles: | CN1C(c2c(nc(n2Cc2ccccc2F)SCC(NC2CCCCC2)=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0352 |
| logD: | 4.0352 |
| logSw: | -3.9487 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.211 |
| InChI Key: | AHNSLQMJNUZTRE-UHFFFAOYSA-N |