2-{4-[4,6-bis(phenylamino)-1,3,5-triazin-2-yl]piperazin-1-yl}-N-(3-chloro-2-methylphenyl)acetamide

2-{4-[4,6-bis(phenylamino)-1,3,5-triazin-2-yl]piperazin-1-yl}-N-(3-chloro-2-methylphenyl)acetamide

Formula: C28H29ClN8O

SMILES: CC1=C(Cl)C=CC=C1NC(=O)CN1CCN(CC1)C1=NC(NC2=CC=CC=C2)=NC(NC2=CC=CC=C2)=N1

IUPAC: 2-{4-[4,6-bis(phenylamino)-1,3,5-triazin-2-yl]piperazin-1-yl}-N-(3-chloro-2-methylphenyl)acetamide

InChI: InChI=1S/C28H29ClN8O/c1-20-23(29)13-8-14-24(20)32-25(38)19-36-15-17-37(18-16-36)28-34-26(30-21-9-4-2-5-10-21)33-27(35-28)31-22-11-6-3-7-12-22/h2-14H,15-19H2,1H3,(H,32,38)(H2,30,31,33,34,35)

Composition: C (63.57%), H (5.53%), Cl (6.70%), N (21.18%), O (3.02%)

Molar Mass: 529.05

Atom Count: 67

Heavy Atom Count: 38

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	528.2152853
Formal Charge	0
FSP3	0.21
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	3
InChIKey	KOMJPMLDICTGON-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	154.02
Topological Polar Surface Area	98.31
Polarizability	56.52
Ring Count	5
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C28H29ClN8O		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00