8-{2-[1-(4-chlorophenyl)ethylidene]hydrazinyl}-7-heptyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-{2-[1-(4-chlorophenyl)ethylidene]hydrazinyl}-7-heptyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione
8-{2-[1-(4-chlorophenyl)ethylidene]hydrazinyl}-7-heptyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 1486-0551 |
| Compound Name: | 8-{2-[1-(4-chlorophenyl)ethylidene]hydrazinyl}-7-heptyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 430.94 |
| Molecular Formula: | C21 H27 Cl N6 O2 |
| Smiles: | CCCCCCCn1c2C(NC(N(C)c2nc1N/N=C(\C)c1ccc(cc1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8072 |
| logD: | 5.8052 |
| logSw: | -5.8873 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.2 |
| InChI Key: | YORPGQGOTVYZIN-UHFFFAOYSA-N |