ethyl 4-(4-acetylpiperazin-1-yl)-3-[(2E)-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamido]benzoate

ethyl 4-(4-acetylpiperazin-1-yl)-3-[(2E)-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamido]benzoate

Formula: C25H27Cl2N3O5

SMILES: CCOC(=O)C1=CC=C(N2CCN(CC2)C(C)=O)C(NC(=O)C=CC2=CC(Cl)=CC(Cl)=C2OC)=C1

IUPAC: ethyl 4-(4-acetylpiperazin-1-yl)-3-[(2E)-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamido]benzoate

InChI: InChI=1S/C25H27Cl2N3O5/c1-4-35-25(33)18-5-7-22(30-11-9-29(10-12-30)16(2)31)21(14-18)28-23(32)8-6-17-13-19(26)15-20(27)24(17)34-3/h5-8,13-15H,4,9-12H2,1-3H3,(H,28,32)/b8-6+

Composition: C (57.70%), H (5.23%), Cl (13.62%), N (8.07%), O (15.37%)

Molar Mass: 520.41

Atom Count: 62

Heavy Atom Count: 35

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	519.1327764
Formal Charge	0
FSP3	0.32
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	CJGZVSNOEZLMMT-SOFGYWHQSA-N
Lipinski's Rule of Five
Molar Refractivity	138.93
Topological Polar Surface Area	88.18
Polarizability	51.69
Ring Count	3
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C25H27Cl2N3O5		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00