2-[(2-fluorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-yl thiophene-2-carboxylate

2-[(2-fluorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-yl thiophene-2-carboxylate

CAS: 477871-49-1

Formula: C19H18FNO2S

SMILES: FC1=C(C=C2C(OC(=O)C3=CC=CS3)C3CCN2CC3)C=CC=C1

IUPAC: 2-[(2-fluorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-yl thiophene-2-carboxylate

InChI: InChI=1/C19H18FNO2S/c20-15-5-2-1-4-14(15)12-16-18(13-7-9-21(16)10-8-13)23-19(22)17-6-3-11-24-17/h1-6,11-13,18H,7-10H2

Composition: C (66.45%), H (5.28%), F (5.53%), N (4.08%), O (9.32%), S (9.34%)

Molar Mass: 343.42

Atom Count: 42

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	343.104228161
Formal Charge	0
FSP3	0.32
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	XEAIMZYXBXPQHV-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	93.69
Topological Polar Surface Area	29.54
Polarizability	35.02
Ring Count	4
Rotatable Bond Count	4

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