4-(2-bromophenyl)-7-phenyl-1,4,8-triazatricyclo[6.3.0.0²,?]undecane-3,5-dione

4-(2-bromophenyl)-7-phenyl-1,4,8-triazatricyclo[6.3.0.0²,?]undecane-3,5-dione

Formula: C20H18BrN3O2

SMILES: BrC1=CC=CC=C1N1C(=O)C2C(N3CCCN3C2C2=CC=CC=C2)C1=O

IUPAC: 4-(2-bromophenyl)-7-phenyl-1,4,8-triazatricyclo[6.3.0.0²,?]undecane-3,5-dione

InChI: InChI=1/C20H18BrN3O2/c21-14-9-4-5-10-15(14)24-19(25)16-17(13-7-2-1-3-8-13)22-11-6-12-23(22)18(16)20(24)26/h1-5,7-10,16-18H,6,11-12H2

Composition: C (58.27%), H (4.40%), Br (19.38%), N (10.19%), O (7.76%)

Molar Mass: 412.287

Atom Count: 44

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	3
Exact Mass	411.05824
Formal Charge	0
FSP3	0.3
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	LBJOWACEDXYZPE-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	100.71
Topological Polar Surface Area	43.86
Polarizability	39.33
Ring Count	5
Rotatable Bond Count	2

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C20H18BrN3O2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00