6-amino-4-[4-(2,4-dinitrophenoxy)-3-ethoxyphenyl]-3-methyl-2H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile

6-amino-4-[4-(2,4-dinitrophenoxy)-3-ethoxyphenyl]-3-methyl-2H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile

Formula: C22H18N6O7

SMILES: CCOC1=CC(=CC=C1OC1=CC=C(C=C1[N+]([O-])=O)[N+]([O-])=O)C1C2=C(C)NN=C2OC(N)=C1C#N

IUPAC: 6-amino-4-[4-(2,4-dinitrophenoxy)-3-ethoxyphenyl]-3-methyl-2H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile

InChI: InChI=1/C22H18N6O7/c1-3-33-18-8-12(20-14(10-23)21(24)35-22-19(20)11(2)25-26-22)4-6-17(18)34-16-7-5-13(27(29)30)9-15(16)28(31)32/h4-9,20H,3,24H2,1-2H3,(H,25,26)

Composition: C (55.23%), H (3.79%), N (17.57%), O (23.41%)

Molar Mass: 478.421

Atom Count: 53

Heavy Atom Count: 35

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	1
Exact Mass	478.123696944
Formal Charge	0
FSP3	0.18
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	2
InChIKey	UUUGKDLVYBHCQS-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	132.33
Topological Polar Surface Area	192.46
Polarizability	45.13
Ring Count	4
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H18N6O7		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00