(2E)-N-[5-(4-chlorophenyl)-7-phenyl-6H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3-phenylprop-2-enamide

(2E)-N-[5-(4-chlorophenyl)-7-phenyl-6H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3-phenylprop-2-enamide

Formula: C26H20ClN5O

SMILES: ClC1=CC=C(C=C1)C1=NC2=NC(NC(=O)C=CC3=CC=CC=C3)=NN2C(C1)C1=CC=CC=C1

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

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

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	VNNMVXOGKLJAHE-LFIBNONCNA-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