6-amino-4-{4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl}-3-phenyl-2H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile

6-amino-4-{4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl}-3-phenyl-2H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile

Formula: C28H23ClN4O3

SMILES: CCOC1=CC(=CC=C1OCC1=CC=C(Cl)C=C1)C1C2=C(NN=C2OC(N)=C1C#N)C1=CC=CC=C1

IUPAC: 6-amino-4-{4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl}-3-phenyl-2H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile

InChI: InChI=1/C28H23ClN4O3/c1-2-34-23-14-19(10-13-22(23)35-16-17-8-11-20(29)12-9-17)24-21(15-30)27(31)36-28-25(24)26(32-33-28)18-6-4-3-5-7-18/h3-14,24H,2,16,31H2,1H3,(H,32,33)

Composition: C (67.40%), H (4.65%), Cl (7.10%), N (11.23%), O (9.62%)

Molar Mass: 498.97

Atom Count: 59

Heavy Atom Count: 36

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	1
Exact Mass	498.1458683
Formal Charge	0
FSP3	0.14
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
InChIKey	ZOWSGEWJKLURNW-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	149.19
Topological Polar Surface Area	106.18
Polarizability	54.04
Ring Count	5
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C28H23ClN4O3		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00