8-[2-(3-bromo-3-phenylprop-2-en-1-ylidene)hydrazinyl]-7-(2-hydroxyethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-[2-(3-bromo-3-phenylprop-2-en-1-ylidene)hydrazinyl]-7-(2-hydroxyethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
8-[2-(3-bromo-3-phenylprop-2-en-1-ylidene)hydrazinyl]-7-(2-hydroxyethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8011-7116 |
| Compound Name: | 8-[2-(3-bromo-3-phenylprop-2-en-1-ylidene)hydrazinyl]-7-(2-hydroxyethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 447.29 |
| Molecular Formula: | C18 H19 Br N6 O3 |
| Smiles: | CN1C(c2c(nc(N/N=C/C=C(/c3ccccc3)[Br])n2CCO)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4675 |
| logD: | 2.4675 |
| logSw: | -2.5415 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.286 |
| InChI Key: | IWQCAKZZIHMJDB-UHFFFAOYSA-N |