AC1NY4AQ
(6E)-6-[[1-(4-chloro-2-methylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-2-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: (6E)-6-[[1-(4-chloro-2-methylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-2-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one|(6E)-6-{[1-(4-chloro-2-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-imino-2-propyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one|(E)-6-((1-(4-chloro-2-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-5-imino-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
| Molecular Formula | C22H22ClN5OS |
|---|---|
| Molecular Weight | 439.12335 g/mol |
| LogP | 5.47523 |
| Topological Polar Surface Area | 73.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 439.12335 |
| Monoisotopic Mass | 439.12335 |
| Heavy Atoms | 30 |
| Complexity | 1174.4308 |
Chemical Identifiers
| CAS Number | 877779-99-2 |
|---|---|
| SMILES | CCCC1=NN2C(=N)/C(=C\C3=C(N(C(=C3)C)C4=C(C=C(C=C4)Cl)C)C)/C(=O)N=C2S1 |
Product Overview
AC1NY4AQ (CAS 877779-99-2), with molecular formula C22H22ClN5OS and molecular weight 439.12335 g/mol. IUPAC: (6E)-6-[[1-(4-chloro-2-methylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-2-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.