1-[5-(4-bromophenyl)-7-phenyl-6H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-2,5-dione

1-[5-(4-bromophenyl)-7-phenyl-6H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-2,5-dione

Formula: C21H16BrN5O2

SMILES: BrC1=CC=C(C=C1)C1=NC2=NC(=NN2C(C1)C1=CC=CC=C1)N1C(=O)CCC1=O

IUPAC: 1-[5-(4-bromophenyl)-7-phenyl-6H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-2,5-dione

InChI: InChI=1/C21H16BrN5O2/c22-15-8-6-13(7-9-15)16-12-17(14-4-2-1-3-5-14)27-20(23-16)24-21(25-27)26-18(28)10-11-19(26)29/h1-9,17H,10-12H2

Composition: C (56.01%), H (3.58%), Br (17.74%), N (15.55%), O (7.11%)

Molar Mass: 450.296

Atom Count: 45

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	1
Exact Mass	449.048738
Formal Charge	0
FSP3	0.19
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
InChIKey	QGCFGMNXOWFPNV-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	123.65
Topological Polar Surface Area	80.45
Polarizability	41.59
Ring Count	5
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H16BrN5O2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00