1,7-diethyl-3-[4-(propan-2-yl)phenyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1,7-diethyl-3-[4-(propan-2-yl)phenyl]-3,7-dihydro-1H-purine-2,6-dione
1,7-diethyl-3-[4-(propan-2-yl)phenyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V011-6664 |
| Compound Name: | 1,7-diethyl-3-[4-(propan-2-yl)phenyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 326.4 |
| Molecular Formula: | C18 H22 N4 O2 |
| Salt: | not_available |
| Smiles: | CCN1C(c2c(ncn2CC)N(C1=O)c1ccc(cc1)C(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8361 |
| logD: | 2.8361 |
| logSw: | -3.0669 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.267 |
| InChI Key: | XRCWHXGCKSJJRS-UHFFFAOYSA-N |