4-{[4-(naphthalen-1-yl)-6-(trifluoromethyl)pyrimidin-2-yl]amino}benzoic acid

4-{[4-(naphthalen-1-yl)-6-(trifluoromethyl)pyrimidin-2-yl]amino}benzoic acid

Formula: C22H14F3N3O2

SMILES: OC(=O)C1=CC=C(NC2=NC(=CC(=N2)C2=C3C=CC=CC3=CC=C2)C(F)(F)F)C=C1

IUPAC: 4-{[4-(naphthalen-1-yl)-6-(trifluoromethyl)pyrimidin-2-yl]amino}benzoic acid

InChI: InChI=1S/C22H14F3N3O2/c23-22(24,25)19-12-18(17-7-3-5-13-4-1-2-6-16(13)17)27-21(28-19)26-15-10-8-14(9-11-15)20(29)30/h1-12H,(H,29,30)(H,26,27,28)

Composition: C (64.55%), H (3.45%), F (13.92%), N (10.26%), O (7.82%)

Molar Mass: 409.368

Atom Count: 44

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	409.103811192
Formal Charge	0
FSP3	0.05
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	MBEGCXCCZREKBN-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	105.23
Topological Polar Surface Area	75.11
Polarizability	40.96
Ring Count	4
Rotatable Bond Count	5

Suppliers

Kinentia Biosciences LLC

Supplier Profile

Purity	LeadTime	Formula	PacketSize	UnitPrice
95%	<14 Days	C22H14F3N3O2		$737.10$737.10