methyl 4-(4-acetylpiperazin-1-yl)-3-(5-bromo-2-chlorobenzamido)benzoate

methyl 4-(4-acetylpiperazin-1-yl)-3-(5-bromo-2-chlorobenzamido)benzoate

Formula: C21H21BrClN3O4

SMILES: COC(=O)C1=CC=C(N2CCN(CC2)C(C)=O)C(NC(=O)C2=CC(Br)=CC=C2Cl)=C1

IUPAC: methyl 4-(4-acetylpiperazin-1-yl)-3-(5-bromo-2-chlorobenzamido)benzoate

InChI: InChI=1S/C21H21BrClN3O4/c1-13(27)25-7-9-26(10-8-25)19-6-3-14(21(29)30-2)11-18(19)24-20(28)16-12-15(22)4-5-17(16)23/h3-6,11-12H,7-10H2,1-2H3,(H,24,28)

Composition: C (50.98%), H (4.28%), Br (16.15%), Cl (7.16%), N (8.49%), O (12.93%)

Molar Mass: 494.77

Atom Count: 51

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	493.040397
Formal Charge	0
FSP3	0.29
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	OGLFNDDTUAIHOQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	120.79
Topological Polar Surface Area	78.95
Polarizability	44.82
Ring Count	3
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H21BrClN3O4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00