2-(4-tert-butylphenoxy)-N-[4-(5-{4-[2-(4-tert-butylphenoxy)acetamido]phenyl}pyrimidin-2-yl)phenyl]acetamide

2-(4-tert-butylphenoxy)-N-[4-(5-{4-[2-(4-tert-butylphenoxy)acetamido]phenyl}pyrimidin-2-yl)phenyl]acetamide

Formula: C40H42N4O4

SMILES: CC(C)(C)C1=CC=C(OCC(=O)NC2=CC=C(C=C2)C2=CN=C(N=C2)C2=CC=C(NC(=O)COC3=CC=C(C=C3)C(C)(C)C)C=C2)C=C1

IUPAC: 2-(4-tert-butylphenoxy)-N-[4-(5-{4-[2-(4-tert-butylphenoxy)acetamido]phenyl}pyrimidin-2-yl)phenyl]acetamide

InChI: InChI=1S/C40H42N4O4/c1-39(2,3)30-11-19-34(20-12-30)47-25-36(45)43-32-15-7-27(8-16-32)29-23-41-38(42-24-29)28-9-17-33(18-10-28)44-37(46)26-48-35-21-13-31(14-22-35)40(4,5)6/h7-24H,25-26H2,1-6H3,(H,43,45)(H,44,46)

Composition: C (74.74%), H (6.59%), N (8.72%), O (9.96%)

Molar Mass: 642.8

Atom Count: 90

Heavy Atom Count: 48

Properties

Properties

Common Names	N/A
Aromatic Ring Count	5
Asymmetric Atom Count	0
Exact Mass	642.320605848
Formal Charge	0
FSP3	0.25
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
InChIKey	UOPQQJHTVDKGFL-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	202.25
Topological Polar Surface Area	102.44
Polarizability	74.69
Ring Count	5
Rotatable Bond Count	12

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C40H42N4O4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00