N-[4-(4-acetylpiperazin-1-yl)phenyl]-3-bromo-4-ethoxybenzamide

N-[4-(4-acetylpiperazin-1-yl)phenyl]-3-bromo-4-ethoxybenzamide

Formula: C21H24BrN3O3

SMILES: CCOC1=CC=C(C=C1Br)C(=O)NC1=CC=C(C=C1)N1CCN(CC1)C(C)=O

IUPAC: N-[4-(4-acetylpiperazin-1-yl)phenyl]-3-bromo-4-ethoxybenzamide

InChI: InChI=1S/C21H24BrN3O3/c1-3-28-20-9-4-16(14-19(20)22)21(27)23-17-5-7-18(8-6-17)25-12-10-24(11-13-25)15(2)26/h4-9,14H,3,10-13H2,1-2H3,(H,23,27)

Composition: C (56.51%), H (5.42%), Br (17.90%), N (9.41%), O (10.75%)

Molar Mass: 446.345

Atom Count: 52

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	445.100105
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	WLBMTWWPXONQFS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	115.18
Topological Polar Surface Area	61.88
Polarizability	42.74
Ring Count	3
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H24BrN3O3		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00