1,3-dimethyl-8-nitro-7-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1,3-dimethyl-8-nitro-7-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
1,3-dimethyl-8-nitro-7-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 4236-1104 |
| Compound Name: | 1,3-dimethyl-8-nitro-7-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 329.31 |
| Molecular Formula: | C15 H15 N5 O4 |
| Smiles: | CN1C(c2c(nc([N+]([O-])=O)n2CCc2ccccc2)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2913 |
| logD: | 2.2913 |
| logSw: | -2.4028 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 75.605 |
| InChI Key: | QJPVJGXFUIOADB-UHFFFAOYSA-N |