methyl 4-(4-acetylpiperazin-1-yl)-3-(1-benzofuran-2-amido)benzoate

methyl 4-(4-acetylpiperazin-1-yl)-3-(1-benzofuran-2-amido)benzoate

Formula: C23H23N3O5

SMILES: COC(=O)C1=CC=C(N2CCN(CC2)C(C)=O)C(NC(=O)C2=CC3=CC=CC=C3O2)=C1

IUPAC: methyl 4-(4-acetylpiperazin-1-yl)-3-(1-benzofuran-2-amido)benzoate

InChI: InChI=1S/C23H23N3O5/c1-15(27)25-9-11-26(12-10-25)19-8-7-17(23(29)30-2)13-18(19)24-22(28)21-14-16-5-3-4-6-20(16)31-21/h3-8,13-14H,9-12H2,1-2H3,(H,24,28)

Composition: C (65.55%), H (5.50%), N (9.97%), O (18.98%)

Molar Mass: 421.453

Atom Count: 54

Heavy Atom Count: 31

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	421.163770853
Formal Charge	0
FSP3	0.26
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	AHTJNMPFXDIYMA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	117.09
Topological Polar Surface Area	92.09
Polarizability	44.42
Ring Count	4
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C23H23N3O5		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00