N'-[(E)-(2-chloro-7-methoxyquinolin-3-yl)methylidene]-2-{[(4-nitrophenyl)methyl]sulfanyl}acetohydrazide

N'-[(E)-(2-chloro-7-methoxyquinolin-3-yl)methylidene]-2-{[(4-nitrophenyl)methyl]sulfanyl}acetohydrazide

Formula: C20H17ClN4O4S

SMILES: COC1=CC2=NC(Cl)=C(C=NNC(=O)CSCC3=CC=C(C=C3)[N+]([O-])=O)C=C2C=C1

IUPAC: N'-[(E)-(2-chloro-7-methoxyquinolin-3-yl)methylidene]-2-{[(4-nitrophenyl)methyl]sulfanyl}acetohydrazide

InChI: InChI=1S/C20H17ClN4O4S/c1-29-17-7-4-14-8-15(20(21)23-18(14)9-17)10-22-24-19(26)12-30-11-13-2-5-16(6-3-13)25(27)28/h2-10H,11-12H2,1H3,(H,24,26)/b22-10+

Composition: C (54.00%), H (3.85%), Cl (7.97%), N (12.59%), O (14.38%), S (7.21%)

Molar Mass: 444.89

Atom Count: 47

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	444.0659039
Formal Charge	0
FSP3	0.15
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
InChIKey	ISGMWUXXNIUOMR-LSHDLFTRSA-N
Lipinski's Rule of Five	1
Molar Refractivity	117.28
Topological Polar Surface Area	106.72
Polarizability	45.22
Ring Count	3
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C20H17ClN4O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00