N-(4-bromo-2-fluorophenyl)-2-[(9-methyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(4-bromo-2-fluorophenyl)-2-[(9-methyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]acetamide
N-(4-bromo-2-fluorophenyl)-2-[(9-methyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | J095-0029 |
| Compound Name: | N-(4-bromo-2-fluorophenyl)-2-[(9-methyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]acetamide |
| Molecular Weight: | 412.24 |
| Molecular Formula: | C14 H11 Br F N5 O2 S |
| Smiles: | Cn1c2c(C(NC=N2)=O)nc1SCC(Nc1ccc(cc1F)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 1.6339 |
| logD: | 1.6261 |
| logSw: | -2.5586 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.964 |
| InChI Key: | ONULIJKIOVFEGR-UHFFFAOYSA-N |