1-(3,4-dimethoxybenzoyl)-4-{[4-(methylsulfanyl)phenyl]methyl}piperazine

1-(3,4-dimethoxybenzoyl)-4-{[4-(methylsulfanyl)phenyl]methyl}piperazine

Formula: C21H26N2O3S

SMILES: COC1=CC=C(C=C1OC)C(=O)N1CCN(CC2=CC=C(SC)C=C2)CC1

IUPAC: 1-(3,4-dimethoxybenzoyl)-4-{[4-(methylsulfanyl)phenyl]methyl}piperazine

InChI: InChI=1S/C21H26N2O3S/c1-25-19-9-6-17(14-20(19)26-2)21(24)23-12-10-22(11-13-23)15-16-4-7-18(27-3)8-5-16/h4-9,14H,10-13,15H2,1-3H3

Composition: C (65.26%), H (6.78%), N (7.25%), O (12.42%), S (8.29%)

Molar Mass: 386.51

Atom Count: 53

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	386.166413879
Formal Charge	0
FSP3	0.38
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	GLTHFWYFPBBCRO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	111.28
Topological Polar Surface Area	42.01
Polarizability	42.68
Ring Count	3
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H26N2O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00