N'-[(E)-{4-[(2-chloro-5-fluoropyrimidin-4-yl)oxy]phenyl}methylidene]-3-(dimethylamino)benzohydrazide

N'-[(E)-{4-[(2-chloro-5-fluoropyrimidin-4-yl)oxy]phenyl}methylidene]-3-(dimethylamino)benzohydrazide

Formula: C20H17ClFN5O2

SMILES: CN(C)C1=CC(=CC=C1)C(=O)NN=CC1=CC=C(OC2=NC(Cl)=NC=C2F)C=C1

IUPAC: N'-[(E)-{4-[(2-chloro-5-fluoropyrimidin-4-yl)oxy]phenyl}methylidene]-3-(dimethylamino)benzohydrazide

InChI: InChI=1S/C20H17ClFN5O2/c1-27(2)15-5-3-4-14(10-15)18(28)26-24-11-13-6-8-16(9-7-13)29-19-17(22)12-23-20(21)25-19/h3-12H,1-2H3,(H,26,28)/b24-11+

Composition: C (58.05%), H (4.14%), Cl (8.57%), F (4.59%), N (16.92%), O (7.73%)

Molar Mass: 413.84

Atom Count: 46

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	413.1054807
Formal Charge	0
FSP3	0.1
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	LBADNURJUJGEKS-BHGWPJFGSA-N
Lipinski's Rule of Five	1
Molar Refractivity	111.6
Topological Polar Surface Area	79.71
Polarizability	40.4
Ring Count	3
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C20H17ClFN5O2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00