4-[(8-Cyclopropyl-3 4-dihydro-4,4-dimethylspiro[2H-1-benzopyran-2,1'-cyclopropane]-6-yl)ethynyl]-2-fluoro-benzoic acid methyl ester
Grundinformationen
- Standard-SMILES
COC(=O)c1ccc(C#Cc2cc(C3CC3)c3c(c2)C(C)(C)CC2(CC2)O3)cc1F- InChIKey
CSIQFZXLEDQFBQ-UHFFFAOYSA-N- Summenformel
- C26H25FO3
- Durchschnittliche Molmasse
- 404,5 g/mol
- Monoisotopische Masse
- 404,17877282
Namen und Bezeichner
- Bevorzugter Name
- 4-[(8-Cyclopropyl-3 4-dihydro-4,4-dimethylspiro[2H-1-benzopyran-2,1'-cyclopropane]-6-yl)ethynyl]-2-fluoro-benzoic acid methyl ester
- IUPAC
- methyl 4-[2-(8-cyclopropyl-4,4-dimethylspiro[3H-chromene-2,1'-cyclopropane]-6-yl)ethynyl]-2-fluorobenzoate
Namen und Synonyme
SCHEMBL5736364CSIQFZXLEDQFBQ-UHFFFAOYSA-N4-[(8-Cyclopropyl-3 4-dihydro-4,4-dimethylspiro[2H-1-benzopyran-2,1'-cyclopropane]-6-yl)ethynyl]-2-fluoro-benzoic acid methyl ester4-[(8-Cyclopropyl-3,4-dihydro-4,4-dimethylspiro[-2H-1-benzopyran-2,1'-cyclopropane]-6-yl)ethynyl]-2-fluoro-benzoic acid methyl ester4-[(8-cyclopropyl-3,4-dihydro-4,4-dimethylspiro[2 H-1-benzopyran-2, 1'-cyclopropane]-6-yl)ethynyl]-2-fluoro-benzoic acid methyl ester4-[(8-Cyclopropyl-3,4-dihydro-4,4-dimethylspiro[2H- 1 -benzopvran-2,1'-cyclopropane]-6-yl)ethynyl]-2-fluoro-benzoic acid methyl ester4-[(8-cyclopropyl-3,4-dihydro-4,4-dimethylspiro[2H- 1 -benzopyran-2,1'-cyclopropane]-6-yl)ethynyl]-2-fluoro-benzoic acid methyl ester4-[(8-cyclopropyl-3,4-dihydro-4,4-dimethylspiro[2H-1-benzopyran-2, 1'-cyclopropane]-6-yl)ethynyl]-2-fluoro-benzoic acid methyl ester4-[(8-Cyclopropyl-3,4-dihydro-4,4-dimethylspiro[2H-1-benzopyran-2,1'-cyclopropane]-6-yl)ethynyl]-2-fluoro-benzoic acid methyl ester4-[(8-cyclopropyl-3,4-dihydro-4,4-dimethylspiro[2H-1-benzopyran-2,1'-cyclopropane]-6yl)ethynyl]-2-fluoro-benzoic acid methyl ester4-[(8-Cyclopropyl-3,4-dihydro-4,4-dimethylspiro[2H-1-benzopyran-2.1'-cyclopropane]-6-yl)ethynyl]-2-fluoro-benzoic acid methyl ester
Datenbank-Bezeichner
- PubChem CID
- 69548418
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 6,4
- Polarare Oberfläche (TPSA)
- 35,5 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 5
- Schwere Atome
- 30
- Formalladung
- 0
- Komplexität
- 753
Zugehörige Reaktionen
80
Notizen zur Verbindung
Wird geladen…