AC1LCXUO
2-amino-4-[(4-fluorophenyl)methylsulfanyl]-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile
Also Known As: Oprea1_768931|NCGC00018838-01|NCGC00018838-02|AK-777/11500018|2-amino-4-((4-fluorobenzyl)thio)-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile|2-amino-4-[(4-fluorobenzyl)sulfanyl]-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile|8-amino-10-[(4-fluorophenyl)methylsulfanyl]-9-azaspiro[5.5]undeca-7,10-diene-7,11-dicarbonitrile
CAS: 369604-95-5
| Molecular Formula | C19H19FN4S |
|---|---|
| Molecular Weight | 354.13144 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 354.13144 |
| Monoisotopic Mass | 354.13144 |
| Heavy Atoms | 25 |
| Complexity | 679.0 |
Chemical Identifiers
| CAS Number | 369604-95-5 |
|---|---|
| SMILES | C1CCC2(CC1)C(=C(NC(=C2C#N)SCC3=CC=C(C=C3)F)N)C#N |
| InChIKey | JJMCWTNJJONPRD-UHFFFAOYSA-N |
Product Overview
AC1LCXUO (CAS 369604-95-5), with molecular formula C19H19FN4S and molecular weight 354.13144 g/mol. IUPAC: 2-amino-4-[(4-fluorophenyl)methylsulfanyl]-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile.
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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