methyl 3-(2-chloro-4-nitrobenzamido)-4-(4-ethylpiperazin-1-yl)benzoate

methyl 3-(2-chloro-4-nitrobenzamido)-4-(4-ethylpiperazin-1-yl)benzoate

Formula: C21H23ClN4O5

SMILES: CCN1CCN(CC1)C1=CC=C(C=C1NC(=O)C1=CC=C(C=C1Cl)[N+]([O-])=O)C(=O)OC

IUPAC: methyl 3-(2-chloro-4-nitrobenzamido)-4-(4-ethylpiperazin-1-yl)benzoate

InChI: InChI=1S/C21H23ClN4O5/c1-3-24-8-10-25(11-9-24)19-7-4-14(21(28)31-2)12-18(19)23-20(27)16-6-5-15(26(29)30)13-17(16)22/h4-7,12-13H,3,8-11H2,1-2H3,(H,23,27)

Composition: C (56.44%), H (5.19%), Cl (7.93%), N (12.54%), O (17.90%)

Molar Mass: 446.89

Atom Count: 54

Heavy Atom Count: 31

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	446.1356976
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
InChIKey	XMJILVLNFVAKOE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	119.97
Topological Polar Surface Area	105.02
Polarizability	44.18
Ring Count	3
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H23ClN4O5		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00