N-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl}-4-(4-chlorophenyl)piperazine-1-carboxamide

N-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl}-4-(4-chlorophenyl)piperazine-1-carboxamide

CAS: 2058812-89-6

Formula: C18H17Cl2F3N4O

SMILES: FC(F)(F)C1=CC(Cl)=C(CNC(=O)N2CCN(CC2)C2=CC=C(Cl)C=C2)N=C1

IUPAC: N-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl}-4-(4-chlorophenyl)piperazine-1-carboxamide

InChI: InChI=1S/C18H17Cl2F3N4O/c19-13-1-3-14(4-2-13)26-5-7-27(8-6-26)17(28)25-11-16-15(20)9-12(10-24-16)18(21,22)23/h1-4,9-10H,5-8,11H2,(H,25,28)

Composition: C (49.90%), H (3.96%), Cl (16.36%), F (13.16%), N (12.93%), O (3.69%)

Molar Mass: 433.26

Atom Count: 45

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	432.0731511
Formal Charge	0
FSP3	0.33
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	ZDAYPZOXXVBRLL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	101.9
Topological Polar Surface Area	48.47
Polarizability	37.83
Ring Count	3
Rotatable Bond Count	4

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90%	<2 Days	2058812-89-6		$51.35-$86.31$51.35$63.37$86.31