(2E)-3-(4-chlorophenyl)-N-{5,7-diphenyl-6H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}prop-2-enamide

(2E)-3-(4-chlorophenyl)-N-{5,7-diphenyl-6H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}prop-2-enamide

Formula: C26H20ClN5O

SMILES: ClC1=CC=C(C=CC(=O)NC2=NN3C(CC(=NC3=N2)C2=CC=CC=C2)C2=CC=CC=C2)C=C1

IUPAC: (2E)-3-(4-chlorophenyl)-N-{5,7-diphenyl-6H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}prop-2-enamide

InChI: InChI=1/C26H20ClN5O/c27-21-14-11-18(12-15-21)13-16-24(33)29-25-30-26-28-22(19-7-3-1-4-8-19)17-23(32(26)31-25)20-9-5-2-6-10-20/h1-16,23H,17H2,(H,29,31,33)/b16-13+

Composition: C (68.80%), H (4.44%), Cl (7.81%), N (15.43%), O (3.52%)

Molar Mass: 453.93

Atom Count: 53

Heavy Atom Count: 33

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	1
Exact Mass	453.135638
Formal Charge	0
FSP3	0.08
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	IVVXCHUIGWPDLD-DTQAZKPQNA-N
Lipinski's Rule of Five
Molar Refractivity	145.21
Topological Polar Surface Area	72.17
Polarizability	48.8
Ring Count	5
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C26H20ClN5O		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00