ethyl 4-(4-benzoylpiperazin-1-yl)-3-(5-bromonaphthalene-1-amido)benzoate

ethyl 4-(4-benzoylpiperazin-1-yl)-3-(5-bromonaphthalene-1-amido)benzoate

Formula: C31H28BrN3O4

SMILES: CCOC(=O)C1=CC=C(N2CCN(CC2)C(=O)C2=CC=CC=C2)C(NC(=O)C2=CC=CC3=C(Br)C=CC=C23)=C1

IUPAC: ethyl 4-(4-benzoylpiperazin-1-yl)-3-(5-bromonaphthalene-1-amido)benzoate

InChI: InChI=1S/C31H28BrN3O4/c1-2-39-31(38)22-14-15-28(34-16-18-35(19-17-34)30(37)21-8-4-3-5-9-21)27(20-22)33-29(36)25-12-6-11-24-23(25)10-7-13-26(24)32/h3-15,20H,2,16-19H2,1H3,(H,33,36)

Composition: C (63.49%), H (4.81%), Br (13.62%), N (7.16%), O (10.91%)

Molar Mass: 586.486

Atom Count: 67

Heavy Atom Count: 39

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	585.126319
Formal Charge	0
FSP3	0.19
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	ZTTBUEMHENSGJB-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	157.86
Topological Polar Surface Area	78.95
Polarizability	59.59
Ring Count	5
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C31H28BrN3O4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00