6-(azepan-1-yl)-N2,N4-bis(4-fluorophenyl)-1,3,5-triazine-2,4-diamine

6-(azepan-1-yl)-N2,N4-bis(4-fluorophenyl)-1,3,5-triazine-2,4-diamine

Formula: C21H22F2N6

SMILES: FC1=CC=C(NC2=NC(=NC(NC3=CC=C(F)C=C3)=N2)N2CCCCCC2)C=C1

IUPAC: 6-(azepan-1-yl)-N2,N4-bis(4-fluorophenyl)-1,3,5-triazine-2,4-diamine

InChI: InChI=1S/C21H22F2N6/c22-15-5-9-17(10-6-15)24-19-26-20(25-18-11-7-16(23)8-12-18)28-21(27-19)29-13-3-1-2-4-14-29/h5-12H,1-4,13-14H2,(H2,24,25,26,27,28)

Composition: C (63.62%), H (5.59%), F (9.58%), N (21.20%)

Molar Mass: 396.446

Atom Count: 51

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	396.187401058
Formal Charge	0
FSP3	0.29
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
InChIKey	XAURXYOCPCAIRD-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	110.94
Topological Polar Surface Area	65.97
Polarizability	39.92
Ring Count	4
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H22F2N6		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00