N-butyl-2-[(6-oxo-9-phenyl-6,9-dihydro-1H-purin-8-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-butyl-2-[(6-oxo-9-phenyl-6,9-dihydro-1H-purin-8-yl)sulfanyl]acetamide
N-butyl-2-[(6-oxo-9-phenyl-6,9-dihydro-1H-purin-8-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | G754-0251 |
| Compound Name: | N-butyl-2-[(6-oxo-9-phenyl-6,9-dihydro-1H-purin-8-yl)sulfanyl]acetamide |
| Molecular Weight: | 357.43 |
| Molecular Formula: | C17 H19 N5 O2 S |
| Smiles: | CCCCNC(CSc1nc2C(NC=Nc2n1c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7395 |
| logD: | 1.7382 |
| logSw: | -2.2855 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.758 |
| InChI Key: | UIRXERXXUYUXFA-UHFFFAOYSA-N |