8-{2-[(3,4-dihydroxyphenyl)methylidene]hydrazinyl}-1,3-dimethyl-7-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-{2-[(3,4-dihydroxyphenyl)methylidene]hydrazinyl}-1,3-dimethyl-7-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
8-{2-[(3,4-dihydroxyphenyl)methylidene]hydrazinyl}-1,3-dimethyl-7-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 4550-0133 |
| Compound Name: | 8-{2-[(3,4-dihydroxyphenyl)methylidene]hydrazinyl}-1,3-dimethyl-7-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 434.45 |
| Molecular Formula: | C22 H22 N6 O4 |
| Smiles: | CN1C(c2c(nc(N/N=C/c3ccc(c(c3)O)O)n2CCc2ccccc2)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1962 |
| logD: | 3.193 |
| logSw: | -3.3195 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 98.823 |
| InChI Key: | PJJOOMZAMGCFTA-UHFFFAOYSA-N |