8-[(3-chlorobut-2-en-1-yl)sulfanyl]-7-heptyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-[(3-chlorobut-2-en-1-yl)sulfanyl]-7-heptyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione
8-[(3-chlorobut-2-en-1-yl)sulfanyl]-7-heptyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 1864-0046 |
| Compound Name: | 8-[(3-chlorobut-2-en-1-yl)sulfanyl]-7-heptyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 384.93 |
| Molecular Formula: | C17 H25 Cl N4 O2 S |
| Smiles: | CCCCCCCn1c2C(NC(N(C)c2nc1SC\C=C(/C)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.285 |
| logD: | 5.2848 |
| logSw: | -5.5414 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.45 |
| InChI Key: | ZPPJVDPKYODHQQ-UHFFFAOYSA-N |