8-(2-benzylidenehydrazinyl)-7-(3-chlorobut-2-en-1-yl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-(2-benzylidenehydrazinyl)-7-(3-chlorobut-2-en-1-yl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
8-(2-benzylidenehydrazinyl)-7-(3-chlorobut-2-en-1-yl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 1029-0520 |
| Compound Name: | 8-(2-benzylidenehydrazinyl)-7-(3-chlorobut-2-en-1-yl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 372.81 |
| Molecular Formula: | C17 H17 Cl N6 O2 |
| Smiles: | C/C(=C/Cn1c2C(NC(N(C)c2nc1N/N=C/c1ccccc1)=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.468 |
| logD: | 3.4659 |
| logSw: | -3.9072 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.913 |
| InChI Key: | INMHIGYFTYWHNP-JJWCQEDUSA-N |