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

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

Formula: C20H18N4O4

SMILES: [O-][N+](=O)C1=CC(=CC=C1)N1C(=O)C2C(N3CCCN3C2C2=CC=CC=C2)C1=O

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

InChI: InChI=1/C20H18N4O4/c25-19-16-17(13-6-2-1-3-7-13)21-10-5-11-22(21)18(16)20(26)23(19)14-8-4-9-15(12-14)24(27)28/h1-4,6-9,12,16-18H,5,10-11H2

Composition: C (63.49%), H (4.80%), N (14.81%), O (16.91%)

Molar Mass: 378.388

Atom Count: 46

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	3
Exact Mass	378.132805076
Formal Charge	0
FSP3	0.3
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
InChIKey	UWTUKTLYENKTAQ-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	99.41
Topological Polar Surface Area	87
Polarizability	38.47
Ring Count	5
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C20H18N4O4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00