2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N-[(phenylcarbamothioyl)amino]propanamide

2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N-[(phenylcarbamothioyl)amino]propanamide

CAS: 339010-56-9

Formula: C16H14ClF3N4OS

SMILES: CC(C(=O)NNC(=S)NC1=CC=CC=C1)C1=C(Cl)C=C(C=N1)C(F)(F)F

IUPAC: 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N-[(phenylcarbamothioyl)amino]propanamide

InChI: InChI=1/C16H14ClF3N4OS/c1-9(13-12(17)7-10(8-21-13)16(18,19)20)14(25)23-24-15(26)22-11-5-3-2-4-6-11/h2-9H,1H3,(H,23,25)(H2,22,24,26)

Composition: C (47.71%), H (3.50%), Cl (8.80%), F (14.15%), N (13.91%), O (3.97%), S (7.96%)

Molar Mass: 402.82

Atom Count: 40

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	402.0528944
Formal Charge	0
FSP3	0.19
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	3
InChIKey	HUUWGBQNKMIJDJ-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	98
Topological Polar Surface Area	66.05
Polarizability	36.33
Ring Count	2
Rotatable Bond Count	5

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90%	<2 Days	339010-56-9		$51.35-$86.31$51.35$63.37$86.31