AC1MSE7S
diethyl 4-[amino-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methylidene]-2-cyanopent-2-enedioate
Also Known As: KS-000035JD|diethyl 4-(amino{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}methylene)-2-cyano-2-pentenedioate|diethyl 4-[amino-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methylidene]-2-cyanopent-2-enedioate
CAS: 338409-07-7
| Molecular Formula | C21H23ClF3N5O4 |
|---|---|
| Molecular Weight | 501.13907 g/mol |
| LogP | 2.62228 |
| Topological Polar Surface Area | 121.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 501.13907 |
| Monoisotopic Mass | 501.13907 |
| Heavy Atoms | 34 |
| Complexity | 1028.2157 |
Chemical Identifiers
| CAS Number | 338409-07-7 |
|---|---|
| SMILES | CCOC(=O)C(=CC(=C(N)N1CCN(CC1)C2=C(C=C(C=N2)C(F)(F)F)Cl)C(=O)OCC)C#N |
Product Overview
AC1MSE7S (CAS 338409-07-7), with molecular formula C21H23ClF3N5O4 and molecular weight 501.13907 g/mol. IUPAC: diethyl 4-[amino-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methylidene]-2-cyanopent-2-enedioate.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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