ethyl 4-(4-benzoylpiperazin-1-yl)-3-[(2E)-3-(2,4-dichlorophenyl)prop-2-enamido]benzoate

ethyl 4-(4-benzoylpiperazin-1-yl)-3-[(2E)-3-(2,4-dichlorophenyl)prop-2-enamido]benzoate

Formula: C29H27Cl2N3O4

SMILES: CCOC(=O)C1=CC=C(N2CCN(CC2)C(=O)C2=CC=CC=C2)C(NC(=O)C=CC2=CC=C(Cl)C=C2Cl)=C1

IUPAC: ethyl 4-(4-benzoylpiperazin-1-yl)-3-[(2E)-3-(2,4-dichlorophenyl)prop-2-enamido]benzoate

InChI: InChI=1S/C29H27Cl2N3O4/c1-2-38-29(37)22-9-12-26(33-14-16-34(17-15-33)28(36)21-6-4-3-5-7-21)25(18-22)32-27(35)13-10-20-8-11-23(30)19-24(20)31/h3-13,18-19H,2,14-17H2,1H3,(H,32,35)/b13-10+

Composition: C (63.05%), H (4.93%), Cl (12.83%), N (7.61%), O (11.58%)

Molar Mass: 552.45

Atom Count: 65

Heavy Atom Count: 38

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	551.1378618
Formal Charge	0
FSP3	0.21
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	FPPLWCLOYCKKJA-JLHYYAGUSA-N
Lipinski's Rule of Five
Molar Refractivity	153.14
Topological Polar Surface Area	78.95
Polarizability	56.63
Ring Count	4
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C29H27Cl2N3O4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00