2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]-N,N-dimethylacetamide
Chemical Structure Depiction of
2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]-N,N-dimethylacetamide
2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]-N,N-dimethylacetamide
Compound characteristics
| Compound ID: | D585-0097 |
| Compound Name: | 2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]-N,N-dimethylacetamide |
| Molecular Weight: | 253.28 |
| Molecular Formula: | C9 H11 N5 O2 S |
| Smiles: | CN(C)C(CSc1nc(c2c(n1)[nH]cn2)O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.8051 |
| logD: | -1.3446 |
| logSw: | -1.7405 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.592 |
| InChI Key: | XXQUBAFLVGJIKQ-UHFFFAOYSA-N |