methyl 4-(4-benzoylpiperazin-1-yl)-3-[3-(benzyloxy)benzamido]benzoate

methyl 4-(4-benzoylpiperazin-1-yl)-3-[3-(benzyloxy)benzamido]benzoate

Formula: C33H31N3O5

SMILES: COC(=O)C1=CC=C(N2CCN(CC2)C(=O)C2=CC=CC=C2)C(NC(=O)C2=CC=CC(OCC3=CC=CC=C3)=C2)=C1

IUPAC: methyl 4-(4-benzoylpiperazin-1-yl)-3-[3-(benzyloxy)benzamido]benzoate

InChI: InChI=1S/C33H31N3O5/c1-40-33(39)27-15-16-30(35-17-19-36(20-18-35)32(38)25-11-6-3-7-12-25)29(22-27)34-31(37)26-13-8-14-28(21-26)41-23-24-9-4-2-5-10-24/h2-16,21-22H,17-20,23H2,1H3,(H,34,37)

Composition: C (72.11%), H (5.69%), N (7.65%), O (14.55%)

Molar Mass: 549.627

Atom Count: 72

Heavy Atom Count: 41

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	549.22637111
Formal Charge	0
FSP3	0.18
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	DUYXHLPIUVKNAF-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	160.11
Topological Polar Surface Area	88.18
Polarizability	59.66
Ring Count	5
Rotatable Bond Count	9

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C33H31N3O5		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00