1-phenyl-2-[(9H-purin-6-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-phenyl-2-[(9H-purin-6-yl)sulfanyl]ethan-1-one
1-phenyl-2-[(9H-purin-6-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | 8009-4842 |
| Compound Name: | 1-phenyl-2-[(9H-purin-6-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 270.31 |
| Molecular Formula: | C13 H10 N4 O S |
| Smiles: | C(C(c1ccccc1)=O)Sc1c2c(ncn1)[nH]cn2 |
| Stereo: | ACHIRAL |
| logP: | 1.4691 |
| logD: | 1.4689 |
| logSw: | -2.2469 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.782 |
| InChI Key: | CMZUNZSPFKIPCD-UHFFFAOYSA-N |