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

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

CAS: 2085690-91-9

Formula: C19H18Cl2F3N3O2

SMILES: FC(F)(F)C1=CC(Cl)=C(N=C1)N1CCCCC1COC(=O)NC1=CC=C(Cl)C=C1

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

InChI: InChI=1/C19H18Cl2F3N3O2/c20-13-4-6-14(7-5-13)26-18(28)29-11-15-3-1-2-8-27(15)17-16(21)9-12(10-25-17)19(22,23)24/h4-7,9-10,15H,1-3,8,11H2,(H,26,28)

Composition: C (50.91%), H (4.05%), Cl (15.82%), F (12.71%), N (9.37%), O (7.14%)

Molar Mass: 448.27

Atom Count: 47

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	447.0728167
Formal Charge	0
FSP3	0.37
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	SLAAFEGCNHIOIT-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	106.61
Topological Polar Surface Area	54.46
Polarizability	39.24
Ring Count	3
Rotatable Bond Count	6

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Purity	LeadTime	CAS	PacketSize	UnitPrice
90%	<2 Days	2085690-91-9		$51.35-$86.31$51.35$63.37$86.31