ethyl 4-(4-benzoylpiperazin-1-yl)-3-(3,4-dimethylbenzamido)benzoate

ethyl 4-(4-benzoylpiperazin-1-yl)-3-(3,4-dimethylbenzamido)benzoate

Formula: C29H31N3O4

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

IUPAC: ethyl 4-(4-benzoylpiperazin-1-yl)-3-(3,4-dimethylbenzamido)benzoate

InChI: InChI=1S/C29H31N3O4/c1-4-36-29(35)24-12-13-26(25(19-24)30-27(33)23-11-10-20(2)21(3)18-23)31-14-16-32(17-15-31)28(34)22-8-6-5-7-9-22/h5-13,18-19H,4,14-17H2,1-3H3,(H,30,33)

Composition: C (71.73%), H (6.44%), N (8.65%), O (13.18%)

Molar Mass: 485.584

Atom Count: 67

Heavy Atom Count: 36

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	485.23145649
Formal Charge	0
FSP3	0.28
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	XNWJIJCEFAUBFS-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	143.87
Topological Polar Surface Area	78.95
Polarizability	52.93
Ring Count	4
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C29H31N3O4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00