ethyl 4-(4-benzoylpiperazin-1-yl)-3-(4-ethoxybenzamido)benzoate

ethyl 4-(4-benzoylpiperazin-1-yl)-3-(4-ethoxybenzamido)benzoate

Formula: C29H31N3O5

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

IUPAC: ethyl 4-(4-benzoylpiperazin-1-yl)-3-(4-ethoxybenzamido)benzoate

InChI: InChI=1S/C29H31N3O5/c1-3-36-24-13-10-21(11-14-24)27(33)30-25-20-23(29(35)37-4-2)12-15-26(25)31-16-18-32(19-17-31)28(34)22-8-6-5-7-9-22/h5-15,20H,3-4,16-19H2,1-2H3,(H,30,33)

Composition: C (69.44%), H (6.23%), N (8.38%), O (15.95%)

Molar Mass: 501.583

Atom Count: 68

Heavy Atom Count: 37

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	501.22637111
Formal Charge	0
FSP3	0.28
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	JESFXDCCWUMJBY-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	145
Topological Polar Surface Area	88.18
Polarizability	53.76
Ring Count	4
Rotatable Bond Count	9

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C29H31N3O5		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00