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

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

Formula: C30H26N4O7

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

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

InChI: InChI=1S/C30H26N4O7/c1-40-30(37)22-10-11-25(32-14-16-33(17-15-32)29(36)20-6-3-2-4-7-20)24(19-22)31-28(35)27-13-12-26(41-27)21-8-5-9-23(18-21)34(38)39/h2-13,18-19H,14-17H2,1H3,(H,31,35)

Composition: C (64.98%), H (4.73%), N (10.10%), O (20.19%)

Molar Mass: 554.559

Atom Count: 67

Heavy Atom Count: 41

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	554.180149193
Formal Charge	0
FSP3	0.17
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
InChIKey	YMYXOFAGOLZBGC-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	152.76
Topological Polar Surface Area	135.23
Polarizability	57.27
Ring Count	5
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C30H26N4O7		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00