7-benzyl-8-chloro-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-benzyl-8-chloro-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
7-benzyl-8-chloro-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 3934-0062 |
| Compound Name: | 7-benzyl-8-chloro-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 304.73 |
| Molecular Formula: | C14 H13 Cl N4 O2 |
| Smiles: | CN1C(c2c(nc(n2Cc2ccccc2)[Cl])N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6948 |
| logD: | 2.6948 |
| logSw: | -3.2157 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 43.924 |
| InChI Key: | MFFGCBDQVBOJBG-UHFFFAOYSA-N |