8-[2-(5-bromo-2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazinyl]-7-(2-hydroxyethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-[2-(5-bromo-2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazinyl]-7-(2-hydroxyethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
8-[2-(5-bromo-2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazinyl]-7-(2-hydroxyethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 0793-0276 |
| Compound Name: | 8-[2-(5-bromo-2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazinyl]-7-(2-hydroxyethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 448.23 |
| Molecular Formula: | C16 H14 Br N7 O4 |
| Smiles: | CN1C(NC(c2c1nc(N/N=C1C(Nc3ccc(cc\13)[Br])=O)n2CCO)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8126 |
| logD: | 1.8106 |
| logSw: | -2.6325 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 115.378 |
| InChI Key: | MNQCDUUSRYECSE-UHFFFAOYSA-N |