N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-[(4-bromophenyl)sulfanyl]acetamide

N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-[(4-bromophenyl)sulfanyl]acetamide

Formula: C20H22BrN3O2S

SMILES: CC(=O)N1CCN(CC1)C1=CC=C(NC(=O)CSC2=CC=C(Br)C=C2)C=C1

IUPAC: N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-[(4-bromophenyl)sulfanyl]acetamide

InChI: InChI=1S/C20H22BrN3O2S/c1-15(25)23-10-12-24(13-11-23)18-6-4-17(5-7-18)22-20(26)14-27-19-8-2-16(21)3-9-19/h2-9H,10-14H2,1H3,(H,22,26)

Composition: C (53.58%), H (4.95%), Br (17.82%), N (9.37%), O (7.14%), S (7.15%)

Molar Mass: 448.38

Atom Count: 49

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	447.061611
Formal Charge	0
FSP3	0.3
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	ZWDXFJWCGQRTBP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	115.7
Topological Polar Surface Area	52.65
Polarizability	43.26
Ring Count	3
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C20H22BrN3O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00