methyl 4-(4-acetylpiperazin-1-yl)-3-(3-chloro-4-methylbenzamido)benzoate

methyl 4-(4-acetylpiperazin-1-yl)-3-(3-chloro-4-methylbenzamido)benzoate

Formula: C22H24ClN3O4

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

IUPAC: methyl 4-(4-acetylpiperazin-1-yl)-3-(3-chloro-4-methylbenzamido)benzoate

InChI: InChI=1S/C22H24ClN3O4/c1-14-4-5-16(12-18(14)23)21(28)24-19-13-17(22(29)30-3)6-7-20(19)26-10-8-25(9-11-26)15(2)27/h4-7,12-13H,8-11H2,1-3H3,(H,24,28)

Composition: C (61.47%), H (5.63%), Cl (8.25%), N (9.77%), O (14.89%)

Molar Mass: 429.9

Atom Count: 54

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	429.145534
Formal Charge	0
FSP3	0.32
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	CMSOXDPKUVXIJD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	118.21
Topological Polar Surface Area	78.95
Polarizability	43.7
Ring Count	3
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H24ClN3O4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00