methyl 4-(4-acetylpiperazin-1-yl)-3-[2-(4-chloro-3-methylphenoxy)acetamido]benzoate

methyl 4-(4-acetylpiperazin-1-yl)-3-[2-(4-chloro-3-methylphenoxy)acetamido]benzoate

Formula: C23H26ClN3O5

SMILES: COC(=O)C1=CC=C(N2CCN(CC2)C(C)=O)C(NC(=O)COC2=CC=C(Cl)C(C)=C2)=C1

IUPAC: methyl 4-(4-acetylpiperazin-1-yl)-3-[2-(4-chloro-3-methylphenoxy)acetamido]benzoate

InChI: InChI=1S/C23H26ClN3O5/c1-15-12-18(5-6-19(15)24)32-14-22(29)25-20-13-17(23(30)31-3)4-7-21(20)27-10-8-26(9-11-27)16(2)28/h4-7,12-13H,8-11,14H2,1-3H3,(H,25,29)

Composition: C (60.06%), H (5.70%), Cl (7.71%), N (9.14%), O (17.39%)

Molar Mass: 459.93

Atom Count: 58

Heavy Atom Count: 32

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	459.1560986
Formal Charge	0
FSP3	0.35
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	ADPMIEYSCKDAEE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	123.5
Topological Polar Surface Area	88.18
Polarizability	46.26
Ring Count	3
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C23H26ClN3O5		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00