N-(2H-1,3-benzodioxol-5-yl)-3-[(4-chlorophenyl)formohydrazido]but-2-enamide

N-(2H-1,3-benzodioxol-5-yl)-3-[(4-chlorophenyl)formohydrazido]but-2-enamide

Formula: C18H16ClN3O4

SMILES: CC(NNC(=O)C1=CC=C(Cl)C=C1)=CC(=O)NC1=CC=C2OCOC2=C1

IUPAC: N-(2H-1,3-benzodioxol-5-yl)-3-[(4-chlorophenyl)formohydrazido]but-2-enamide

InChI: InChI=1S/C18H16ClN3O4/c1-11(21-22-18(24)12-2-4-13(19)5-3-12)8-17(23)20-14-6-7-15-16(9-14)26-10-25-15/h2-9,21H,10H2,1H3,(H,20,23)(H,22,24)

Composition: C (57.84%), H (4.31%), Cl (9.48%), N (11.24%), O (17.12%)

Molar Mass: 373.79

Atom Count: 42

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	373.0829337
Formal Charge	0
FSP3	0.11
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
InChIKey	VMZMXRFRWCAPTK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	109.62
Topological Polar Surface Area	88.69
Polarizability	36.62
Ring Count	3
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C18H16ClN3O4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00