N-(4-{[4-(4-methoxyphenyl)phthalazin-1-yl]oxy}phenyl)benzamide

N-(4-{[4-(4-methoxyphenyl)phthalazin-1-yl]oxy}phenyl)benzamide

Formula: C28H21N3O3

SMILES: COC1=CC=C(C=C1)C1=C2C=CC=CC2=C(OC2=CC=C(NC(=O)C3=CC=CC=C3)C=C2)N=N1

IUPAC: N-(4-{[4-(4-methoxyphenyl)phthalazin-1-yl]oxy}phenyl)benzamide

InChI: InChI=1S/C28H21N3O3/c1-33-22-15-11-19(12-16-22)26-24-9-5-6-10-25(24)28(31-30-26)34-23-17-13-21(14-18-23)29-27(32)20-7-3-2-4-8-20/h2-18H,1H3,(H,29,32)

Composition: C (75.15%), H (4.73%), N (9.39%), O (10.73%)

Molar Mass: 447.494

Atom Count: 55

Heavy Atom Count: 34

Properties

Properties

Common Names	N/A
Aromatic Ring Count	5
Asymmetric Atom Count	0
Exact Mass	447.158291548
Formal Charge	0
FSP3	0.04
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	XFVHYYJJOAADFP-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	133.53
Topological Polar Surface Area	73.34
Polarizability	52.54
Ring Count	5
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C28H21N3O3		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00