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

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

Formula: C27H25Cl2N3O4

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

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

InChI: InChI=1S/C27H25Cl2N3O4/c1-2-36-27(35)20-9-11-24(23(17-20)30-25(33)19-8-10-21(28)22(29)16-19)31-12-14-32(15-13-31)26(34)18-6-4-3-5-7-18/h3-11,16-17H,2,12-15H2,1H3,(H,30,33)

Composition: C (61.60%), H (4.79%), Cl (13.47%), N (7.98%), O (12.16%)

Molar Mass: 526.41

Atom Count: 61

Heavy Atom Count: 36

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	525.1222117
Formal Charge	0
FSP3	0.22
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	PBVFUVQWGCLVPP-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	143.4
Topological Polar Surface Area	78.95
Polarizability	53.22
Ring Count	4
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C27H25Cl2N3O4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00