8-[(3-chlorobut-2-en-1-yl)sulfanyl]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-[(3-chlorobut-2-en-1-yl)sulfanyl]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
8-[(3-chlorobut-2-en-1-yl)sulfanyl]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 1486-0599 |
| Compound Name: | 8-[(3-chlorobut-2-en-1-yl)sulfanyl]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 300.76 |
| Molecular Formula: | C11 H13 Cl N4 O2 S |
| Smiles: | C/C(=C/CSc1nc2c(C(NC(N2C)=O)=O)n1C)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.1556 |
| logD: | 2.1554 |
| logSw: | -3.0608 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.282 |
| InChI Key: | ZHEQPDBCCAEDFS-UHFFFAOYSA-N |