methyl 4-(4-ethylpiperazin-1-yl)-3-[2-(morpholin-4-yl)-5-nitrobenzamido]benzoate

methyl 4-(4-ethylpiperazin-1-yl)-3-[2-(morpholin-4-yl)-5-nitrobenzamido]benzoate

Formula: C25H31N5O6

SMILES: CCN1CCN(CC1)C1=CC=C(C=C1NC(=O)C1=CC(=CC=C1N1CCOCC1)[N+]([O-])=O)C(=O)OC

IUPAC: methyl 4-(4-ethylpiperazin-1-yl)-3-[2-(morpholin-4-yl)-5-nitrobenzamido]benzoate

InChI: InChI=1S/C25H31N5O6/c1-3-27-8-10-28(11-9-27)23-6-4-18(25(32)35-2)16-21(23)26-24(31)20-17-19(30(33)34)5-7-22(20)29-12-14-36-15-13-29/h4-7,16-17H,3,8-15H2,1-2H3,(H,26,31)

Composition: C (60.35%), H (6.28%), N (14.08%), O (19.29%)

Molar Mass: 497.552

Atom Count: 67

Heavy Atom Count: 36

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	497.227433738
Formal Charge	0
FSP3	0.44
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	1
InChIKey	KMMCQMZYUGONCS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	138.67
Topological Polar Surface Area	117.49
Polarizability	50.73
Ring Count	4
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C25H31N5O6		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00