N-[(4-fluorophenyl)methyl]-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-[(4-fluorophenyl)methyl]-2-({7-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetamide
N-[(4-fluorophenyl)methyl]-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: | 8017-5166 |
| Compound Name: | N-[(4-fluorophenyl)methyl]-2-({7-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetamide |
| Molecular Weight: | 485.51 |
| Molecular Formula: | C23 H21 F2 N5 O3 S |
| Smiles: | CN1C(c2c(nc(n2Cc2ccccc2F)SCC(NCc2ccc(cc2)F)=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8496 |
| logD: | 3.8496 |
| logSw: | -3.8366 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.486 |
| InChI Key: | KORAFDPQAAZHKR-UHFFFAOYSA-N |