enzalutamide

enzalutamide

CAS: 915087-33-1

Formula: C21H16F4N4O2S

SMILES: CNC(=O)C1=C(F)C=C(C=C1)N1C(=S)N(C(=O)C1(C)C)C1=CC=C(C#N)C(=C1)C(F)(F)F

IUPAC: 4-{3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl}-2-fluoro-N-methylbenzamide

InChI: InChI=1S/C21H16F4N4O2S/c1-20(2)18(31)28(12-5-4-11(10-26)15(8-12)21(23,24)25)19(32)29(20)13-6-7-14(16(22)9-13)17(30)27-3/h4-9H,1-3H3,(H,27,30)

Composition: C (54.31%), H (3.47%), F (16.36%), N (12.06%), O (6.89%), S (6.90%)

Molar Mass: 464.44

Atom Count: 48

Heavy Atom Count: 32

Properties

Properties

Common Names	enzalutamide
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	464.093009597
Formal Charge	0
FSP3	0.24
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	WXCXUHSOUPDCQV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	113.48
Topological Polar Surface Area	76.44
Polarizability	41.53
Ring Count	3
Rotatable Bond Count	4

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Purity	LeadTime	CAS	PacketSize	UnitPrice
99.96%	<7 Days	915087-33-1		$46.75-$1,617.55$46.75$65.45$112.20$177.65$224.40$327.25$504.90$785.40$1,617.55