2,4-diphenyl-5-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}pyrimidine

2,4-diphenyl-5-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}pyrimidine

CAS: 338772-05-7

Formula: C28H23F3N4O

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

IUPAC: 2,4-diphenyl-5-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}pyrimidine

InChI: InChI=1S/C28H23F3N4O/c29-28(30,31)22-12-7-13-23(18-22)34-14-16-35(17-15-34)27(36)24-19-32-26(21-10-5-2-6-11-21)33-25(24)20-8-3-1-4-9-20/h1-13,18-19H,14-17H2

Composition: C (68.84%), H (4.75%), F (11.67%), N (11.47%), O (3.28%)

Molar Mass: 488.514

Atom Count: 59

Heavy Atom Count: 36

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	488.182395866
Formal Charge	0
FSP3	0.18
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	SPMRAMWJBPQYAS-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	144.29
Topological Polar Surface Area	49.33
Polarizability	50.87
Ring Count	5
Rotatable Bond Count	5

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90%	<2 Days	338772-05-7		$51.35-$86.31$51.35$63.37$86.31