methyl 4-(4-benzylpiperazin-1-yl)-3-[5-(3-nitrophenyl)furan-2-amido]benzoate

methyl 4-(4-benzylpiperazin-1-yl)-3-[5-(3-nitrophenyl)furan-2-amido]benzoate

Formula: C30H28N4O6

SMILES: COC(=O)C1=CC=C(N2CCN(CC3=CC=CC=C3)CC2)C(NC(=O)C2=CC=C(O2)C2=CC=CC(=C2)[N+]([O-])=O)=C1

IUPAC: methyl 4-(4-benzylpiperazin-1-yl)-3-[5-(3-nitrophenyl)furan-2-amido]benzoate

InChI: InChI=1S/C30H28N4O6/c1-39-30(36)23-10-11-26(33-16-14-32(15-17-33)20-21-6-3-2-4-7-21)25(19-23)31-29(35)28-13-12-27(40-28)22-8-5-9-24(18-22)34(37)38/h2-13,18-19H,14-17,20H2,1H3,(H,31,35)

Composition: C (66.66%), H (5.22%), N (10.36%), O (17.76%)

Molar Mass: 540.576

Atom Count: 68

Heavy Atom Count: 40

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	540.200884638
Formal Charge	0
FSP3	0.2
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
InChIKey	RLRXOZQWGWEZRV-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	152.43
Topological Polar Surface Area	118.16
Polarizability	57.78
Ring Count	5
Rotatable Bond Count	9

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C30H28N4O6		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00