7-tert-butyl-N'-[(Z)-(5-nitrothiophen-2-yl)methylidene]-2,3-dihydro-1,4-benzodioxine-2-carbohydrazide

7-tert-butyl-N'-[(Z)-(5-nitrothiophen-2-yl)methylidene]-2,3-dihydro-1,4-benzodioxine-2-carbohydrazide

Formula: C18H19N3O5S

SMILES: CC(C)(C)C1=CC2=C(OCC(O2)C(=O)NN=C/C2=CC=C(S2)[N+]([O-])=O)C=C1

IUPAC: 7-tert-butyl-N'-[(Z)-(5-nitrothiophen-2-yl)methylidene]-2,3-dihydro-1,4-benzodioxine-2-carbohydrazide

InChI: InChI=1/C18H19N3O5S/c1-18(2,3)11-4-6-13-14(8-11)26-15(10-25-13)17(22)20-19-9-12-5-7-16(27-12)21(23)24/h4-9,15H,10H2,1-3H3,(H,20,22)/b19-9-

Composition: C (55.52%), H (4.92%), N (10.79%), O (20.54%), S (8.23%)

Molar Mass: 389.43

Atom Count: 46

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	389.104541898
Formal Charge	0
FSP3	0.33
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
InChIKey	LKZJDEQNMRAMJE-OCKHKDLRNA-N
Lipinski's Rule of Five	1
Molar Refractivity	98.8
Topological Polar Surface Area	103.06
Polarizability	37.79
Ring Count	3
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C18H19N3O5S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00