tert-butyl N-{1-[6-(2-methylphenyl)pyridazin-3-yl]piperidin-4-yl}carbamate

tert-butyl N-{1-[6-(2-methylphenyl)pyridazin-3-yl]piperidin-4-yl}carbamate

CAS: 1993139-98-2

Formula: C21H28N4O2

SMILES: CC1=C(C=CC=C1)C1=NN=C(C=C1)N1CCC(CC1)NC(=O)OC(C)(C)C

IUPAC: tert-butyl N-{1-[6-(2-methylphenyl)pyridazin-3-yl]piperidin-4-yl}carbamate

InChI: InChI=1S/C21H28N4O2/c1-15-7-5-6-8-17(15)18-9-10-19(24-23-18)25-13-11-16(12-14-25)22-20(26)27-21(2,3)4/h5-10,16H,11-14H2,1-4H3,(H,22,26)

Composition: C (68.45%), H (7.66%), N (15.21%), O (8.68%)

Molar Mass: 368.481

Atom Count: 55

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	368.221226158
Formal Charge	0
FSP3	0.48
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	HAJPYWCSYXHOTF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	108.57
Topological Polar Surface Area	67.35
Polarizability	41.99
Ring Count	3
Rotatable Bond Count	5

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Purity	LeadTime	CAS	PacketSize	UnitPrice
90%	<2 Days	1993139-98-2		$51.35-$86.31$51.35$63.37$86.31