methyl 3-[(2E)-3-(4-chloro-3-nitrophenyl)prop-2-enamido]-4-(4-ethylpiperazin-1-yl)benzoate

methyl 3-[(2E)-3-(4-chloro-3-nitrophenyl)prop-2-enamido]-4-(4-ethylpiperazin-1-yl)benzoate

Formula: C23H25ClN4O5

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

IUPAC: methyl 3-[(2E)-3-(4-chloro-3-nitrophenyl)prop-2-enamido]-4-(4-ethylpiperazin-1-yl)benzoate

InChI: InChI=1S/C23H25ClN4O5/c1-3-26-10-12-27(13-11-26)20-8-6-17(23(30)33-2)15-19(20)25-22(29)9-5-16-4-7-18(24)21(14-16)28(31)32/h4-9,14-15H,3,10-13H2,1-2H3,(H,25,29)/b9-5+

Composition: C (58.41%), H (5.33%), Cl (7.50%), N (11.85%), O (16.91%)

Molar Mass: 472.93

Atom Count: 58

Heavy Atom Count: 33

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	472.1513476
Formal Charge	0
FSP3	0.3
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
InChIKey	JRJBSWVTGHZBSM-WEVVVXLNSA-N
Lipinski's Rule of Five	1
Molar Refractivity	129.72
Topological Polar Surface Area	105.02
Polarizability	47.62
Ring Count	3
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C23H25ClN4O5		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00