3-(5-methyl-1,3,4-thiadiazol-2-yl)-6-{4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl}pyridazine

3-(5-methyl-1,3,4-thiadiazol-2-yl)-6-{4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl}pyridazine

CAS: 921605-87-0

Formula: C19H18F3N5OS

SMILES: CC1=NN=C(S1)C1=CC=C(N=N1)N1CCC(CC1)OC1=CC=CC=C1C(F)(F)F

IUPAC: 3-(5-methyl-1,3,4-thiadiazol-2-yl)-6-{4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl}pyridazine

InChI: InChI=1S/C19H18F3N5OS/c1-12-23-26-18(29-12)15-6-7-17(25-24-15)27-10-8-13(9-11-27)28-16-5-3-2-4-14(16)19(20,21)22/h2-7,13H,8-11H2,1H3

Composition: C (54.15%), H (4.31%), F (13.52%), N (16.62%), O (3.80%), S (7.61%)

Molar Mass: 421.44

Atom Count: 47

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	421.118415883
Formal Charge	0
FSP3	0.37
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
InChIKey	NVUJDKDVOZVALT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	116.97
Topological Polar Surface Area	64.03
Polarizability	38.54
Ring Count	4
Rotatable Bond Count	5

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<4 Days	921605-87-0		$123.83-$486.92$123.83$178.11$269.83$486.92