2-[(1,3-dimethyl-7-octyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetamide
Chemical Structure Depiction of
2-[(1,3-dimethyl-7-octyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetamide
2-[(1,3-dimethyl-7-octyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | 3448-8787 |
| Compound Name: | 2-[(1,3-dimethyl-7-octyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetamide |
| Molecular Weight: | 381.5 |
| Molecular Formula: | C17 H27 N5 O3 S |
| Smiles: | CCCCCCCCn1c2C(N(C)C(N(C)c2nc1SCC(N)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5468 |
| logD: | 3.5468 |
| logSw: | -3.5993 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.924 |
| InChI Key: | XJKZNIJXIRHEMM-UHFFFAOYSA-N |