ethyl [(7-hexadecyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetate
Chemical Structure Depiction of
ethyl [(7-hexadecyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetate
ethyl [(7-hexadecyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | 1859-0596 |
| Compound Name: | ethyl [(7-hexadecyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetate |
| Molecular Weight: | 508.72 |
| Molecular Formula: | C26 H44 N4 O4 S |
| Smiles: | CCCCCCCCCCCCCCCCn1c2C(NC(N(C)c2nc1SCC(=O)OCC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 8.4708 |
| logD: | 8.4707 |
| logSw: | -5.7589 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.609 |
| InChI Key: | MGEVOTVEZZSBRL-UHFFFAOYSA-N |