2-{[4,6-bis(phenylamino)-1,3,5-triazin-2-yl]amino}-N-(4-bromophenyl)propanamide

2-{[4,6-bis(phenylamino)-1,3,5-triazin-2-yl]amino}-N-(4-bromophenyl)propanamide

Formula: C24H22BrN7O

SMILES: CC(NC1=NC(NC2=CC=CC=C2)=NC(NC2=CC=CC=C2)=N1)C(=O)NC1=CC=C(Br)C=C1

IUPAC: 2-{[4,6-bis(phenylamino)-1,3,5-triazin-2-yl]amino}-N-(4-bromophenyl)propanamide

InChI: InChI=1/C24H22BrN7O/c1-16(21(33)27-20-14-12-17(25)13-15-20)26-22-30-23(28-18-8-4-2-5-9-18)32-24(31-22)29-19-10-6-3-7-11-19/h2-16H,1H3,(H,27,33)(H3,26,28,29,30,31,32)

Composition: C (57.15%), H (4.40%), Br (15.84%), N (19.44%), O (3.17%)

Molar Mass: 504.392

Atom Count: 55

Heavy Atom Count: 33

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	1
Exact Mass	503.106921
Formal Charge	0
FSP3	0.08
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	4
InChIKey	KRUBIOUMYYVXOI-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	136
Topological Polar Surface Area	103.86
Polarizability	49.29
Ring Count	4
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C24H22BrN7O		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00