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

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

Formula: C23H26N6OS

SMILES: CC1=CC=C(OCC2=NN3C(CN4CCN(CC4)C4=CC=CC=C4)=NN=C3S2)C=C1C

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

InChI: InChI=1S/C23H26N6OS/c1-17-8-9-20(14-18(17)2)30-16-22-26-29-21(24-25-23(29)31-22)15-27-10-12-28(13-11-27)19-6-4-3-5-7-19/h3-9,14H,10-13,15-16H2,1-2H3

Composition: C (63.57%), H (6.03%), N (19.34%), O (3.68%), S (7.38%)

Molar Mass: 434.56

Atom Count: 57

Heavy Atom Count: 31

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	434.188880655
Formal Charge	0
FSP3	0.35
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
InChIKey	DRFHLKNYGGCQRE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	146.73
Topological Polar Surface Area	58.79
Polarizability	46.62
Ring Count	5
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C23H26N6OS		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00