1-(pyrimidin-2-yl)-3-({[4-(trifluoromethoxy)phenyl]amino}methylidene)pyrrolidin-2-one

1-(pyrimidin-2-yl)-3-({[4-(trifluoromethoxy)phenyl]amino}methylidene)pyrrolidin-2-one

CAS: 1164518-09-5

Formula: C16H13F3N4O2

SMILES: FC(F)(F)OC1=CC=C(NC=C2CCN(C2=O)C2=NC=CC=N2)C=C1

IUPAC: 1-(pyrimidin-2-yl)-3-({[4-(trifluoromethoxy)phenyl]amino}methylidene)pyrrolidin-2-one

InChI: InChI=1S/C16H13F3N4O2/c17-16(18,19)25-13-4-2-12(3-5-13)22-10-11-6-9-23(14(11)24)15-20-7-1-8-21-15/h1-5,7-8,10,22H,6,9H2

Composition: C (54.86%), H (3.74%), F (16.27%), N (15.99%), O (9.13%)

Molar Mass: 350.301

Atom Count: 38

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	350.099060164
Formal Charge	0
FSP3	0.19
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	ONDRGUOVGXTDFG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	80.96
Topological Polar Surface Area	67.35
Polarizability	30.61
Ring Count	3
Rotatable Bond Count	5

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90%	<2 Days	1164518-09-5		$51.35-$86.31$51.35$63.37$86.31