N-{1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl}-1-phenylcyclopropane-1-carboxamide

N-{1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl}-1-phenylcyclopropane-1-carboxamide

CAS: 1775384-12-7

Formula: C21H23F3N4O

SMILES: CC1=NC(=CC(=N1)C(F)(F)F)N1CCC(CC1)NC(=O)C1(CC1)C1=CC=CC=C1

IUPAC: N-{1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl}-1-phenylcyclopropane-1-carboxamide

InChI: InChI=1S/C21H23F3N4O/c1-14-25-17(21(22,23)24)13-18(26-14)28-11-7-16(8-12-28)27-19(29)20(9-10-20)15-5-3-2-4-6-15/h2-6,13,16H,7-12H2,1H3,(H,27,29)

Composition: C (62.37%), H (5.73%), F (14.09%), N (13.85%), O (3.96%)

Molar Mass: 404.437

Atom Count: 52

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	404.182395866
Formal Charge	0
FSP3	0.48
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	QKATUQBCIRXTCW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	104.51
Topological Polar Surface Area	58.12
Polarizability	38.42
Ring Count	4
Rotatable Bond Count	5

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90%	<2 Days	1775384-12-7		$51.35-$86.31$51.35$63.37$86.31