methyl 4-(4-benzoylpiperazin-1-yl)-3-(3-methylbenzamido)benzoate

methyl 4-(4-benzoylpiperazin-1-yl)-3-(3-methylbenzamido)benzoate

Formula: C27H27N3O4

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

IUPAC: methyl 4-(4-benzoylpiperazin-1-yl)-3-(3-methylbenzamido)benzoate

InChI: InChI=1S/C27H27N3O4/c1-19-7-6-10-21(17-19)25(31)28-23-18-22(27(33)34-2)11-12-24(23)29-13-15-30(16-14-29)26(32)20-8-4-3-5-9-20/h3-12,17-18H,13-16H2,1-2H3,(H,28,31)

Composition: C (70.88%), H (5.95%), N (9.18%), O (13.99%)

Molar Mass: 457.53

Atom Count: 61

Heavy Atom Count: 34

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	457.200156361
Formal Charge	0
FSP3	0.22
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	SHTQXEBRPDZWKA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	134.08
Topological Polar Surface Area	78.95
Polarizability	49.32
Ring Count	4
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C27H27N3O4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00