AC1O1XB9
(6E)-5-imino-2-pentan-3-yl-6-[(4-propan-2-ylphenyl)methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: (E)-5-imino-6-(4-isopropylbenzylidene)-2-(pentan-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one|(6E)-5-imino-2-(pentan-3-yl)-6-[4-(propan-2-yl)benzylidene]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one|(6E)-5-imino-2-pentan-3-yl-6-[(4-propan-2-ylphenyl)methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
| Molecular Formula | C20H24N4OS |
|---|---|
| Molecular Weight | 368.16708 g/mol |
| LogP | 4.86537 |
| Topological Polar Surface Area | 68.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 368.16708 |
| Monoisotopic Mass | 368.16708 |
| Heavy Atoms | 26 |
| Complexity | 816.7179 |
Chemical Identifiers
| CAS Number | 877792-95-5 |
|---|---|
| SMILES | CCC(CC)C1=NN2C(=N)/C(=C\C3=CC=C(C=C3)C(C)C)/C(=O)N=C2S1 |
Product Overview
AC1O1XB9 (CAS 877792-95-5), with molecular formula C20H24N4OS and molecular weight 368.16708 g/mol. IUPAC: (6E)-5-imino-2-pentan-3-yl-6-[(4-propan-2-ylphenyl)methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.
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