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

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

Formula: C27H22ClN5O2

SMILES: COC1=CC=CC=C1C=CC(=O)NC1=NN2C(CC(=NC2=N1)C1=CC=C(Cl)C=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-(2-methoxyphenyl)prop-2-enamide

InChI: InChI=1/C27H22ClN5O2/c1-35-24-10-6-5-9-20(24)13-16-25(34)30-26-31-27-29-22(18-11-14-21(28)15-12-18)17-23(33(27)32-26)19-7-3-2-4-8-19/h2-16,23H,17H2,1H3,(H,30,32,34)/b16-13+

Composition: C (67.01%), H (4.58%), Cl (7.33%), N (14.47%), O (6.61%)

Molar Mass: 483.96

Atom Count: 57

Heavy Atom Count: 35

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	1
Exact Mass	483.1462027
Formal Charge	0
FSP3	0.11
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	AFDZQPJZTORARE-DTQAZKPQNA-N
Lipinski's Rule of Five
Molar Refractivity	151.67
Topological Polar Surface Area	81.4
Polarizability	51.32
Ring Count	5
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C27H22ClN5O2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00