2-(3,4-dimethylphenoxy)-N-[4-(6-{4-[2-(3,4-dimethylphenoxy)acetamido]phenyl}-2-phenylpyrimidin-4-yl)phenyl]acetamide

2-(3,4-dimethylphenoxy)-N-[4-(6-{4-[2-(3,4-dimethylphenoxy)acetamido]phenyl}-2-phenylpyrimidin-4-yl)phenyl]acetamide

Formula: C42H38N4O4

SMILES: CC1=CC=C(OCC(=O)NC2=CC=C(C=C2)C2=CC(=NC(=N2)C2=CC=CC=C2)C2=CC=C(NC(=O)COC3=CC=C(C)C(C)=C3)C=C2)C=C1C

IUPAC: 2-(3,4-dimethylphenoxy)-N-[4-(6-{4-[2-(3,4-dimethylphenoxy)acetamido]phenyl}-2-phenylpyrimidin-4-yl)phenyl]acetamide

InChI: InChI=1S/C42H38N4O4/c1-27-10-20-36(22-29(27)3)49-25-40(47)43-34-16-12-31(13-17-34)38-24-39(46-42(45-38)33-8-6-5-7-9-33)32-14-18-35(19-15-32)44-41(48)26-50-37-21-11-28(2)30(4)23-37/h5-24H,25-26H2,1-4H3,(H,43,47)(H,44,48)

Composition: C (76.11%), H (5.78%), N (8.45%), O (9.66%)

Molar Mass: 662.79

Atom Count: 88

Heavy Atom Count: 50

Properties

Properties

Common Names	N/A
Aromatic Ring Count	6
Asymmetric Atom Count	0
Exact Mass	662.28930572
Formal Charge	0
FSP3	0.14
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
InChIKey	MSHBPLUQZSHANK-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	209.48
Topological Polar Surface Area	102.44
Polarizability	78.18
Ring Count	6
Rotatable Bond Count	11

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C42H38N4O4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00