ethyl 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2-{[(3-methoxyphenyl)methyl]carbamoyl}acetate

ethyl 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2-{[(3-methoxyphenyl)methyl]carbamoyl}acetate

CAS: 478063-74-0

Formula: C19H18ClF3N2O4

SMILES: CCOC(=O)C(C(=O)NCC1=CC(OC)=CC=C1)C1=C(Cl)C=C(C=N1)C(F)(F)F

IUPAC: ethyl 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2-{[(3-methoxyphenyl)methyl]carbamoyl}acetate

InChI: InChI=1/C19H18ClF3N2O4/c1-3-29-18(27)15(16-14(20)8-12(10-24-16)19(21,22)23)17(26)25-9-11-5-4-6-13(7-11)28-2/h4-8,10,15H,3,9H2,1-2H3,(H,25,26)

Composition: C (52.97%), H (4.21%), Cl (8.23%), F (13.23%), N (6.50%), O (14.85%)

Molar Mass: 430.81

Atom Count: 47

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	430.0907193
Formal Charge	0
FSP3	0.32
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	CXDSUTPRHKIHHA-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	99.22
Topological Polar Surface Area	77.52
Polarizability	37.72
Ring Count	2
Rotatable Bond Count	9

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90%	<2 Days	478063-74-0		$51.35-$86.31$51.35$63.37$86.31