methyl 4-(4-benzylpiperazin-1-yl)-3-[(2E)-3-(furan-2-yl)prop-2-enamido]benzoate

methyl 4-(4-benzylpiperazin-1-yl)-3-[(2E)-3-(furan-2-yl)prop-2-enamido]benzoate

Formula: C26H27N3O4

SMILES: COC(=O)C1=CC=C(N2CCN(CC3=CC=CC=C3)CC2)C(NC(=O)C=CC2=CC=CO2)=C1

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

InChI: InChI=1S/C26H27N3O4/c1-32-26(31)21-9-11-24(23(18-21)27-25(30)12-10-22-8-5-17-33-22)29-15-13-28(14-16-29)19-20-6-3-2-4-7-20/h2-12,17-18H,13-16,19H2,1H3,(H,27,30)/b12-10+

Composition: C (70.09%), H (6.11%), N (9.43%), O (14.36%)

Molar Mass: 445.519

Atom Count: 60

Heavy Atom Count: 33

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	445.200156361
Formal Charge	0
FSP3	0.23
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	IHJGJLBIYNHDJL-ZRDIBKRKSA-N
Lipinski's Rule of Five	1
Molar Refractivity	130.84
Topological Polar Surface Area	75.02
Polarizability	48.42
Ring Count	4
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C26H27N3O4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00