7-butyl-8-[(3-chlorobut-2-en-1-yl)sulfanyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-butyl-8-[(3-chlorobut-2-en-1-yl)sulfanyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
7-butyl-8-[(3-chlorobut-2-en-1-yl)sulfanyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8010-1742 |
| Compound Name: | 7-butyl-8-[(3-chlorobut-2-en-1-yl)sulfanyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 342.85 |
| Molecular Formula: | C14 H19 Cl N4 O2 S |
| Smiles: | CCCCn1c2C(NC(N(C)c2nc1SC/C=C(/C)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6457 |
| logD: | 3.6456 |
| logSw: | -3.9519 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.45 |
| InChI Key: | PRLKHSKACRDFGY-UHFFFAOYSA-N |