3-methyl-7-(2-methylpropyl)-8-{2-[1-(4-nitrophenyl)ethylidene]hydrazinyl}-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
3-methyl-7-(2-methylpropyl)-8-{2-[1-(4-nitrophenyl)ethylidene]hydrazinyl}-3,7-dihydro-1H-purine-2,6-dione
3-methyl-7-(2-methylpropyl)-8-{2-[1-(4-nitrophenyl)ethylidene]hydrazinyl}-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 4550-0193 |
| Compound Name: | 3-methyl-7-(2-methylpropyl)-8-{2-[1-(4-nitrophenyl)ethylidene]hydrazinyl}-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 399.41 |
| Molecular Formula: | C18 H21 N7 O4 |
| Smiles: | CC(C)Cn1c2C(NC(N(C)c2nc1N/N=C(\C)c1ccc(cc1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5161 |
| logD: | 3.5141 |
| logSw: | -3.7595 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 107.604 |
| InChI Key: | HDPAXOSFQQZKIC-UHFFFAOYSA-N |