7-hexadecyl-3-methyl-8-[(prop-2-en-1-yl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-hexadecyl-3-methyl-8-[(prop-2-en-1-yl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
7-hexadecyl-3-methyl-8-[(prop-2-en-1-yl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 1859-0598 |
| Compound Name: | 7-hexadecyl-3-methyl-8-[(prop-2-en-1-yl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 462.7 |
| Molecular Formula: | C25 H42 N4 O2 S |
| Smiles: | CCCCCCCCCCCCCCCCn1c2C(NC(N(C)c2nc1SCC=C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 9.0371 |
| logD: | 9.0369 |
| logSw: | -5.8815 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.45 |
| InChI Key: | FTCHAJCMGDUCJK-UHFFFAOYSA-N |