ethyl 4-(4-benzoylpiperazin-1-yl)-3-(1-benzofuran-2-amido)benzoate

ethyl 4-(4-benzoylpiperazin-1-yl)-3-(1-benzofuran-2-amido)benzoate

Formula: C29H27N3O5

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

IUPAC: ethyl 4-(4-benzoylpiperazin-1-yl)-3-(1-benzofuran-2-amido)benzoate

InChI: InChI=1S/C29H27N3O5/c1-2-36-29(35)22-12-13-24(31-14-16-32(17-15-31)28(34)20-8-4-3-5-9-20)23(18-22)30-27(33)26-19-21-10-6-7-11-25(21)37-26/h3-13,18-19H,2,14-17H2,1H3,(H,30,33)

Composition: C (70.01%), H (5.47%), N (8.45%), O (16.08%)

Molar Mass: 497.551

Atom Count: 64

Heavy Atom Count: 37

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	497.195070981
Formal Charge	0
FSP3	0.21
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	AFXVRQYEMXIYTM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	142.5
Topological Polar Surface Area	92.09
Polarizability	53.79
Ring Count	5
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C29H27N3O5		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00