[4-(2-Cyclopropyl-4,4-dimethyl-1,2,3,4-tetrahydro-isoquinolin-6-ylethynyl)-2-fluoro-phenyl]-acetic acid ethyl ester

HCID 69548286

Grundinformationen

Standard-SMILES
CCOC(=O)Cc1ccc(C#Cc2ccc3c(c2)C(C)(C)CN(C2CC2)C3)cc1F
InChIKey
JJZJSGUKRPHAIB-UHFFFAOYSA-N
Summenformel
C26H28FNO2
Durchschnittliche Molmasse
405,5 g/mol

Namen und Bezeichner

Bevorzugter Name
[4-(2-Cyclopropyl-4,4-dimethyl-1,2,3,4-tetrahydro-isoquinolin-6-ylethynyl)-2-fluoro-phenyl]-acetic acid ethyl ester
IUPAC
ethyl 2-[4-[2-(2-cyclopropyl-4,4-dimethyl-1,3-dihydroisoquinolin-6-yl)ethynyl]-2-fluorophenyl]acetate

Namen und Synonyme

SCHEMBL5735894JJZJSGUKRPHAIB-UHFFFAOYSA-N[4-(2-Cyclopropyl-4,4-dimethyl 1,2,3,4-tetrahydro-isoquinolin-6-yl-ethynyl)-2-fluoro-phenyl]-acetic acid ethyl ester[4-(2-Cyclopropyl-4,4-dimethyl-1,2,3,4-tetrahydro-isoquinolin-6-yl-ethynyl) -2-fluoro-phenyl]-acetic Acid Ethyl Ester[4-(2-Cyclopropyl-4,4-dimethyl-1,2,3,4-tetrahydro-isoquinolin-6-yl-ethynyl)-2-fluoro-phenyl]-acetic acid ethyl ester[4-(2-cyclopropyl-4,4-dimethyl-1,2,3,4-tetrahydro-isoquinolin-6-ylethynyl)-2-fluoro-phenyl]-acetic acid ethyl ester[4-(2-Cyclopropyl-4,4-dimethyl-1,2,3,4-tetrahydro-isoquinoline-6-yl-ethynyl)-2-fluoro-phenyl]-acetic acid ethyl ester[4-(2-cyclopropyl-4,4-dimethyl-1,2,3,4-tetrahydro-isoquinoline-6-ylethynyl)-2-fluoro-phenyl]-acetic acid ethyl ester

Datenbank-Bezeichner

PubChem CID
69548286

Eigenschaften

Berechnete Struktureigenschaften

XLogP
5,5
Polarare Oberfläche (TPSA)
29,5 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
4
Frei drehbare Bindungen
7
Schwere Atome
30

Zugehörige Reaktionen

27

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