C23H23ClN6O3S
(6E)-6-[[1-(4-chloro-3-nitrophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-2-pentyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: (6E)-6-[[1-(4-chloro-3-nitrophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-2-pentyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one|(6E)-6-{[1-(4-chloro-3-nitrophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-imino-2-pentyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one|(E)-6-((1-(4-chloro-3-nitrophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-5-imino-2-pentyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
| Molecular Formula | C23H23ClN6O3S |
|---|---|
| Molecular Weight | 498.12408 g/mol |
| LogP | 5.85521 |
| Topological Polar Surface Area | 116.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 498.12408 |
| Monoisotopic Mass | 498.12408 |
| Heavy Atoms | 34 |
| Complexity | 1310.0142 |
Chemical Identifiers
| CAS Number | 672913-89-2 |
|---|---|
| SMILES | CCCCCC1=NN2C(=N)/C(=C\C3=C(N(C(=C3)C)C4=CC(=C(C=C4)Cl)[N+](=O)[O-])C)/C(=O)N=C2S1 |
Product Overview
C23H23ClN6O3S (CAS 672913-89-2), with molecular formula C23H23ClN6O3S and molecular weight 498.12408 g/mol. IUPAC: (6E)-6-[[1-(4-chloro-3-nitrophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-2-pentyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.