(2E)-3-(2,5-dichlorophenyl)-N-(5-{[3-(trifluoromethyl)phenyl]methyl}-1,3-thiazol-2-yl)prop-2-enamide

(2E)-3-(2,5-dichlorophenyl)-N-(5-{[3-(trifluoromethyl)phenyl]methyl}-1,3-thiazol-2-yl)prop-2-enamide

Formula: C20H13Cl2F3N2OS

SMILES: FC(F)(F)C1=CC(CC2=CN=C(NC(=O)C=CC3=CC(Cl)=CC=C3Cl)S2)=CC=C1

IUPAC: (2E)-3-(2,5-dichlorophenyl)-N-(5-{[3-(trifluoromethyl)phenyl]methyl}-1,3-thiazol-2-yl)prop-2-enamide

InChI: InChI=1S/C20H13Cl2F3N2OS/c21-15-5-6-17(22)13(10-15)4-7-18(28)27-19-26-11-16(29-19)9-12-2-1-3-14(8-12)20(23,24)25/h1-8,10-11H,9H2,(H,26,27,28)/b7-4+

Composition: C (52.53%), H (2.87%), Cl (15.50%), F (12.46%), N (6.13%), O (3.50%), S (7.01%)

Molar Mass: 457.29

Atom Count: 42

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	456.0077741
Formal Charge	0
FSP3	0.1
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	QJBZMCBILPZXSX-QPJJXVBHSA-N
Lipinski's Rule of Five
Molar Refractivity	111.28
Topological Polar Surface Area	41.99
Polarizability	40.46
Ring Count	3
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C20H13Cl2F3N2OS		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00