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N'-(3-cyano-4-methoxypyridin-2-yl)-N-{2-[3-(trifluoromethyl)phenoxy]ethoxy}methanimidamide

N'-(3-cyano-4-methoxypyridin-2-yl)-N-{2-[3-(trifluoromethyl)phenoxy]ethoxy}methanimidamide

CAS: 339102-47-5

Formula: C17H15F3N4O3

SMILES: COC1=C(C#N)C(N=CNOCCOC2=CC=CC(=C2)C(F)(F)F)=NC=C1

IUPAC: N'-(3-cyano-4-methoxypyridin-2-yl)-N-{2-[3-(trifluoromethyl)phenoxy]ethoxy}methanimidamide

InChI: InChI=1S/C17H15F3N4O3/c1-25-15-5-6-22-16(14(15)10-21)23-11-24-27-8-7-26-13-4-2-3-12(9-13)17(18,19)20/h2-6,9,11H,7-8H2,1H3,(H,22,23,24)

Composition: C (53.69%), H (3.98%), F (14.99%), N (14.73%), O (12.62%)

Molar Mass: 380.327

Atom Count: 42

Heavy Atom Count: 27

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 380.109624848
Formal Charge 0
FSP3 0.24
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 7
Hydrogen Bond Donor Count 1
InChIKey SUCPNYJUMZFSMB-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 102.45
Topological Polar Surface Area 88.76
Polarizability 33.35
Ring Count 2
Rotatable Bond Count 8

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