N-{3-cyano-4-[(4-methylphenyl)sulfanyl]phenyl}-4-fluorobenzamide

N-{3-cyano-4-[(4-methylphenyl)sulfanyl]phenyl}-4-fluorobenzamide

CAS: 306980-42-7

Formula: C21H15FN2OS

SMILES: CC1=CC=C(SC2=C(C=C(NC(=O)C3=CC=C(F)C=C3)C=C2)C#N)C=C1

IUPAC: N-{3-cyano-4-[(4-methylphenyl)sulfanyl]phenyl}-4-fluorobenzamide

InChI: InChI=1S/C21H15FN2OS/c1-14-2-9-19(10-3-14)26-20-11-8-18(12-16(20)13-23)24-21(25)15-4-6-17(22)7-5-15/h2-12H,1H3,(H,24,25)

Composition: C (69.60%), H (4.17%), F (5.24%), N (7.73%), O (4.41%), S (8.85%)

Molar Mass: 362.42

Atom Count: 41

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	362.088912448
Formal Charge	0
FSP3	0.05
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	PXMCLQNRPDARBK-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	105.25
Topological Polar Surface Area	52.89
Polarizability	38.81
Ring Count	3
Rotatable Bond Count	4

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90%	<2 Days	306980-42-7		$51.35-$86.31$51.35$63.37$86.31