N-{4-[(1Z)-1-[(2H-1,3-benzodioxol-5-ylformamido)imino]ethyl]phenyl}-2,2,2-trifluoroacetamide

N-{4-[(1Z)-1-[(2H-1,3-benzodioxol-5-ylformamido)imino]ethyl]phenyl}-2,2,2-trifluoroacetamide

Formula: C18H14F3N3O4

SMILES: CC(=NNC(=O)C1=CC=C2OCOC2=C1)C1=CC=C(NC(=O)C(F)(F)F)C=C1

IUPAC: N-{4-[(1Z)-1-{[(2H-1,3-benzodioxol-5-yl)formamido]imino}ethyl]phenyl}-2,2,2-trifluoroacetamide

InChI: InChI=1S/C18H14F3N3O4/c1-10(11-2-5-13(6-3-11)22-17(26)18(19,20)21)23-24-16(25)12-4-7-14-15(8-12)28-9-27-14/h2-8H,9H2,1H3,(H,22,26)(H,24,25)/b23-10-

Composition: C (54.97%), H (3.59%), F (14.49%), N (10.68%), O (16.27%)

Molar Mass: 393.322

Atom Count: 42

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	393.093640432
Formal Charge	0
FSP3	0.17
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	MMXTUNDWFSQOHA-RMORIDSASA-N
Lipinski's Rule of Five	1
Molar Refractivity	93.69
Topological Polar Surface Area	89.02
Polarizability	33.95
Ring Count	3
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C18H14F3N3O4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00