ethyl 3-[2-(4-chloro-3-methylphenoxy)acetamido]-4-(4-ethylpiperazin-1-yl)benzoate

ethyl 3-[2-(4-chloro-3-methylphenoxy)acetamido]-4-(4-ethylpiperazin-1-yl)benzoate

Formula: C24H30ClN3O4

SMILES: CCOC(=O)C1=CC=C(N2CCN(CC)CC2)C(NC(=O)COC2=CC=C(Cl)C(C)=C2)=C1

IUPAC: ethyl 3-[2-(4-chloro-3-methylphenoxy)acetamido]-4-(4-ethylpiperazin-1-yl)benzoate

InChI: InChI=1S/C24H30ClN3O4/c1-4-27-10-12-28(13-11-27)22-9-6-18(24(30)31-5-2)15-21(22)26-23(29)16-32-19-7-8-20(25)17(3)14-19/h6-9,14-15H,4-5,10-13,16H2,1-3H3,(H,26,29)

Composition: C (62.67%), H (6.57%), Cl (7.71%), N (9.14%), O (13.91%)

Molar Mass: 459.97

Atom Count: 62

Heavy Atom Count: 32

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	459.1924842
Formal Charge	0
FSP3	0.42
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	BQYAKTFNZMYENV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	128.73
Topological Polar Surface Area	71.11
Polarizability	48.37
Ring Count	3
Rotatable Bond Count	9

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C24H30ClN3O4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00