4-bromo-2-[(4-{[4-(methylsulfanyl)phenyl]methyl}piperazin-1-yl)methyl]phenol

4-bromo-2-[(4-{[4-(methylsulfanyl)phenyl]methyl}piperazin-1-yl)methyl]phenol

Formula: C19H23BrN2OS

SMILES: CSC1=CC=C(CN2CCN(CC3=CC(Br)=CC=C3O)CC2)C=C1

IUPAC: 4-bromo-2-[(4-{[4-(methylsulfanyl)phenyl]methyl}piperazin-1-yl)methyl]phenol

InChI: InChI=1S/C19H23BrN2OS/c1-24-18-5-2-15(3-6-18)13-21-8-10-22(11-9-21)14-16-12-17(20)4-7-19(16)23/h2-7,12,23H,8-11,13-14H2,1H3

Composition: C (56.02%), H (5.69%), Br (19.61%), N (6.88%), O (3.93%), S (7.87%)

Molar Mass: 407.37

Atom Count: 47

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	406.071448
Formal Charge	0
FSP3	0.37
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	VHLJHCKYFUWCHF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	107.63
Topological Polar Surface Area	26.71
Polarizability	41.44
Ring Count	3
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C19H23BrN2OS		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00