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

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

Formula: C19H14F3N3O3

SMILES: COC1=C(C=CC=C1)C1=NC(NC2=CC=C(C=C2)C(O)=O)=NC(=C1)C(F)(F)F

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

InChI: InChI=1S/C19H14F3N3O3/c1-28-15-5-3-2-4-13(15)14-10-16(19(20,21)22)25-18(24-14)23-12-8-6-11(7-9-12)17(26)27/h2-10H,1H3,(H,26,27)(H,23,24,25)

Composition: C (58.62%), H (3.62%), F (14.64%), N (10.79%), O (12.33%)

Molar Mass: 389.334

Atom Count: 42

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	389.098725812
Formal Charge	0
FSP3	0.11
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
InChIKey	NDXYDAQQPPUWFY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	95.24
Topological Polar Surface Area	84.34
Polarizability	36.12
Ring Count	3
Rotatable Bond Count	6

Suppliers

Kinentia Biosciences LLC

Supplier Profile

Purity	LeadTime	Formula	PacketSize	UnitPrice
95%	<14 Days	C19H14F3N3O3		$827.82$827.82