ethyl 4-(4-benzoylpiperazin-1-yl)-3-[(2E)-3-(furan-2-yl)prop-2-enamido]benzoate

ethyl 4-(4-benzoylpiperazin-1-yl)-3-[(2E)-3-(furan-2-yl)prop-2-enamido]benzoate

Formula: C27H27N3O5

SMILES: CCOC(=O)C1=CC=C(N2CCN(CC2)C(=O)C2=CC=CC=C2)C(NC(=O)C=CC2=CC=CO2)=C1

IUPAC: ethyl 4-(4-benzoylpiperazin-1-yl)-3-[(2E)-3-(furan-2-yl)prop-2-enamido]benzoate

InChI: InChI=1S/C27H27N3O5/c1-2-34-27(33)21-10-12-24(23(19-21)28-25(31)13-11-22-9-6-18-35-22)29-14-16-30(17-15-29)26(32)20-7-4-3-5-8-20/h3-13,18-19H,2,14-17H2,1H3,(H,28,31)/b13-11+

Composition: C (68.49%), H (5.75%), N (8.87%), O (16.89%)

Molar Mass: 473.529

Atom Count: 62

Heavy Atom Count: 35

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	473.195070981
Formal Charge	0
FSP3	0.22
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	ZBYGOUUSINOQDG-ACCUITESSA-N
Lipinski's Rule of Five	1
Molar Refractivity	135.92
Topological Polar Surface Area	92.09
Polarizability	49.75
Ring Count	4
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C27H27N3O5		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00