N-[3-(methylsulfanyl)phenyl]-2-[(9H-purin-6-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-[3-(methylsulfanyl)phenyl]-2-[(9H-purin-6-yl)sulfanyl]acetamide
N-[3-(methylsulfanyl)phenyl]-2-[(9H-purin-6-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | D691-0026 |
| Compound Name: | N-[3-(methylsulfanyl)phenyl]-2-[(9H-purin-6-yl)sulfanyl]acetamide |
| Molecular Weight: | 331.42 |
| Molecular Formula: | C14 H13 N5 O S2 |
| Smiles: | CSc1cccc(c1)NC(CSc1c2c(ncn1)[nH]cn2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9079 |
| logD: | 1.9077 |
| logSw: | -2.7146 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.684 |
| InChI Key: | JSBLJYCHWQSHDL-UHFFFAOYSA-N |