N-(2,3-dihydro-1,4-benzodioxin-6-yl)-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-dihydro-1,4-benzodioxin-6-yl)-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-dihydro-1,4-benzodioxin-6-yl)-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: | 8014-9101 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({7-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetamide |
| Molecular Weight: | 511.53 |
| Molecular Formula: | C24 H22 F N5 O5 S |
| Smiles: | CN1C(c2c(nc(n2Cc2ccccc2F)SCC(Nc2ccc3c(c2)OCCO3)=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1118 |
| logD: | 3.1118 |
| logSw: | -3.3769 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.987 |
| InChI Key: | BPJCEQQQFCBNDH-UHFFFAOYSA-N |