8-chloro-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-chloro-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
8-chloro-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | Y504-9658 |
| Compound Name: | 8-chloro-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 214.61 |
| Molecular Formula: | C7 H7 Cl N4 O2 |
| Smiles: | CN1C(c2c(nc([nH]2)[Cl])N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9226 |
| logD: | -1.3442 |
| logSw: | -2.0299 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.809 |
| InChI Key: | RYIGNEOBDRVTHA-UHFFFAOYSA-N |