1-({6-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl}methyl)-4-phenylpiperazine

1-({6-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl}methyl)-4-phenylpiperazine

Formula: C21H21ClN6S

SMILES: ClC1=CC=C(CC2=NN3C(CN4CCN(CC4)C4=CC=CC=C4)=NN=C3S2)C=C1

IUPAC: 1-({6-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl}methyl)-4-phenylpiperazine

InChI: InChI=1S/C21H21ClN6S/c22-17-8-6-16(7-9-17)14-20-25-28-19(23-24-21(28)29-20)15-26-10-12-27(13-11-26)18-4-2-1-3-5-18/h1-9H,10-15H2

Composition: C (59.36%), H (4.98%), Cl (8.34%), N (19.78%), S (7.54%)

Molar Mass: 424.95

Atom Count: 50

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	424.1236936
Formal Charge	0
FSP3	0.29
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
InChIKey	TWQKFBMUPUVCBS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	140.21
Topological Polar Surface Area	49.56
Polarizability	44.2
Ring Count	5
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H21ClN6S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00