AC1Q3PIF
3-benzyl-2-[(2-chlorophenyl)methylsulfanyl]-5,6-dihydroimidazo[4,5-d]pyridazine-4,7-dione
Also Known As: 1-benzyl-2-[(2-chlorobenzyl)sulfanyl]-5,6-dihydro-1h-imidazo[4,5-d]pyridazine-4,7-dione|AM-944/40947844|3-benzyl-2-[(2-chlorophenyl)methylsulfanyl]-5,6-dihydroimidazo[4,5-d]pyridazine-4,7-dione|3-benzyl-2-[(2-chlorophenyl)methylsulfanyl]-5,6-dihydroimida|1-Benzyl-2-((2-chlorobenzyl)thio)-5,6-dihydro-1H-imidazo[4,5-d]pyridazine-4,7-dione|1-benzyl-2-[(2-chlorobenzyl)sulfanyl]-1H-imidazo[4,5-d]pyridazine-4,7-diol|2-(2-Chlor-benzylmercapto)-1-benzyl-4,7-dihydroxy-1H-imidazo<4,5-d>pyridazin|1-Benzyl-2-{[(2-chlorophenyl)methyl]sulfanyl}-5,6-dihydro-1H-imidazo[4,5-d]pyridazine-4,7-dione|1H-Imidazo[4,5-d]pyridazine-4,7-dione, 2-[[(2-chlorophenyl)methyl]thio]-5,6-dihydro-1-(phenylmethyl)-
| Molecular Formula | C19H15ClN4O2S |
|---|---|
| Molecular Weight | 398.06042 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 398.06042 |
| Monoisotopic Mass | 398.06042 |
| Heavy Atoms | 27 |
| Complexity | 560.0 |
Chemical Identifiers
| CAS Number | 39013-35-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C3=C(C(=O)NNC3=O)N=C2SCC4=CC=CC=C4Cl |
| InChIKey | OTCXHHZIBZZDRV-UHFFFAOYSA-N |
Product Overview
AC1Q3PIF (CAS 39013-35-9), with molecular formula C19H15ClN4O2S and molecular weight 398.06042 g/mol. IUPAC: 3-benzyl-2-[(2-chlorophenyl)methylsulfanyl]-5,6-dihydroimidazo[4,5-d]pyridazine-4,7-dione.