1-[(2-bromophenyl)methyl]-4-(3,4,5-trimethoxybenzoyl)piperazine

1-[(2-bromophenyl)methyl]-4-(3,4,5-trimethoxybenzoyl)piperazine

Formula: C21H25BrN2O4

SMILES: COC1=CC(=CC(OC)=C1OC)C(=O)N1CCN(CC2=CC=CC=C2Br)CC1

IUPAC: 1-[(2-bromophenyl)methyl]-4-(3,4,5-trimethoxybenzoyl)piperazine

InChI: InChI=1S/C21H25BrN2O4/c1-26-18-12-16(13-19(27-2)20(18)28-3)21(25)24-10-8-23(9-11-24)14-15-6-4-5-7-17(15)22/h4-7,12-13H,8-11,14H2,1-3H3

Composition: C (56.13%), H (5.61%), Br (17.78%), N (6.23%), O (14.24%)

Molar Mass: 449.345

Atom Count: 53

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	448.09977
Formal Charge	0
FSP3	0.38
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
InChIKey	PXBGMSBJTREEGX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	112.6
Topological Polar Surface Area	51.24
Polarizability	43.09
Ring Count	3
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H25BrN2O4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00