5,7-diethyl-2-(5-nitrofuran-2-yl)-1,3-diazatricyclo[3.3.1.1³,?]decan-6-one

5,7-diethyl-2-(5-nitrofuran-2-yl)-1,3-diazatricyclo[3.3.1.1³,?]decan-6-one

Formula: C16H21N3O4

SMILES: CCC12CN3CC(CC)(CN(C1)C3C1=CC=C(O1)[N+]([O-])=O)C2=O

IUPAC: 5,7-diethyl-2-(5-nitrofuran-2-yl)-1,3-diazatricyclo[3.3.1.1³,?]decan-6-one

InChI: InChI=1S/C16H21N3O4/c1-3-15-7-17-9-16(4-2,14(15)20)10-18(8-15)13(17)11-5-6-12(23-11)19(21)22/h5-6,13H,3-4,7-10H2,1-2H3

Composition: C (60.18%), H (6.63%), N (13.16%), O (20.04%)

Molar Mass: 319.361

Atom Count: 44

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	319.153206168
Formal Charge	0
FSP3	0.69
Hetero Ring Count	4
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
InChIKey	AECYXACDIKKMNV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	82.18
Topological Polar Surface Area	79.83
Polarizability	32.16
Ring Count	4
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C16H21N3O4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00