2-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carbonyl}-1H-indole

2-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carbonyl}-1H-indole

CAS: 634155-07-0

Formula: C19H16ClF3N4O

SMILES: FC(F)(F)C1=CC(Cl)=C(N=C1)N1CCN(CC1)C(=O)C1=CC2=CC=CC=C2N1

IUPAC: 2-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carbonyl}-1H-indole

InChI: InChI=1S/C19H16ClF3N4O/c20-14-10-13(19(21,22)23)11-24-17(14)26-5-7-27(8-6-26)18(28)16-9-12-3-1-2-4-15(12)25-16/h1-4,9-11,25H,5-8H2

Composition: C (55.82%), H (3.95%), Cl (8.67%), F (13.94%), N (13.71%), O (3.91%)

Molar Mass: 408.81

Atom Count: 44

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	408.0964733
Formal Charge	0
FSP3	0.26
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	RTVHRBCKTFFLPF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	101.38
Topological Polar Surface Area	52.23
Polarizability	37.8
Ring Count	4
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
90%	<2 Days	634155-07-0		$51.35-$86.31$51.35$63.37$86.31