8-{2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]hydrazinyl}-3-methyl-7-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-{2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]hydrazinyl}-3-methyl-7-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
8-{2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]hydrazinyl}-3-methyl-7-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 3342-2954 |
| Compound Name: | 8-{2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]hydrazinyl}-3-methyl-7-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 449.26 |
| Molecular Formula: | C17 H17 Br N6 O4 |
| Smiles: | CN1C(NC(c2c1nc(N/N=C\c1cc(c(c(c1)[Br])O)OC)n2CC=C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7105 |
| logD: | 2.6617 |
| logSw: | -3.0573 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 98.022 |
| InChI Key: | CSZVUFVEWRNQLL-UHFFFAOYSA-N |