AC1MS82R
6-[[4-[2-(3,4-dimethylphenoxy)ethoxy]phenyl]methylidene]-5-imino-2-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: 6-[[4-[2-(3,4-Dimethylphenoxy)ethoxy]phenyl]methylene]-5,6-dihydro-5-imino-2-(trifluoromethyl)-7H-1,3,4-thiadiazolo[3,2-a]pyrimidin-7-one|6-[[4-[2-(3,4-dimethylphenoxy)ethoxy]phenyl]methylidene]-5-imino-2-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
| Molecular Formula | C23H19F3N4O3S |
|---|---|
| Molecular Weight | 488.113 g/mol |
| LogP | 4.94271 |
| Topological Polar Surface Area | 87.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 488.113 |
| Monoisotopic Mass | 488.113 |
| Heavy Atoms | 34 |
| Complexity | 1237.0117 |
Chemical Identifiers
| CAS Number | 375355-33-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)OCCOC2=CC=C(C=C2)C=C3C(=N)N4C(=NC3=O)SC(=N4)C(F)(F)F)C |
Product Overview
AC1MS82R (CAS 375355-33-2), with molecular formula C23H19F3N4O3S and molecular weight 488.113 g/mol. IUPAC: 6-[[4-[2-(3,4-dimethylphenoxy)ethoxy]phenyl]methylidene]-5-imino-2-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.
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