N-(3-chloro-4-fluorophenyl)-2-[(6-oxo-9-phenyl-6,9-dihydro-1H-purin-8-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-2-[(6-oxo-9-phenyl-6,9-dihydro-1H-purin-8-yl)sulfanyl]acetamide
N-(3-chloro-4-fluorophenyl)-2-[(6-oxo-9-phenyl-6,9-dihydro-1H-purin-8-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | G754-0138 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-2-[(6-oxo-9-phenyl-6,9-dihydro-1H-purin-8-yl)sulfanyl]acetamide |
| Molecular Weight: | 429.86 |
| Molecular Formula: | C19 H13 Cl F N5 O2 S |
| Smiles: | C(C(Nc1ccc(c(c1)[Cl])F)=O)Sc1nc2C(NC=Nc2n1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1346 |
| logD: | 3.1284 |
| logSw: | -3.5554 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.323 |
| InChI Key: | PGQVNCKYLKPWIS-UHFFFAOYSA-N |