1,3-dimethyl-7-(prop-2-en-1-yl)-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1,3-dimethyl-7-(prop-2-en-1-yl)-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione
1,3-dimethyl-7-(prop-2-en-1-yl)-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 3736-0228 |
| Compound Name: | 1,3-dimethyl-7-(prop-2-en-1-yl)-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 252.29 |
| Molecular Formula: | C10 H12 N4 O2 S |
| Smiles: | CN1C(c2c(nc(n2CC=C)S)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4378 |
| logD: | 1.4316 |
| logSw: | -1.4021 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.01 |
| InChI Key: | JCBSZBGKGRAJAC-UHFFFAOYSA-N |