2-(1,3-benzoxazol-2-ylsulfanyl)-N'-[(E)-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]acetohydrazide

2-(1,3-benzoxazol-2-ylsulfanyl)-N'-[(E)-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]acetohydrazide

Formula: C22H19FN4O2S

SMILES: CC1=CC(C=NNC(=O)CSC2=NC3=CC=CC=C3O2)=C(C)N1C1=CC=C(F)C=C1

IUPAC: 2-(1,3-benzoxazol-2-ylsulfanyl)-N'-[(E)-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene]acetohydrazide

InChI: InChI=1S/C22H19FN4O2S/c1-14-11-16(15(2)27(14)18-9-7-17(23)8-10-18)12-24-26-21(28)13-30-22-25-19-5-3-4-6-20(19)29-22/h3-12H,13H2,1-2H3,(H,26,28)/b24-12+

Composition: C (62.55%), H (4.53%), F (4.50%), N (13.26%), O (7.57%), S (7.59%)

Molar Mass: 422.48

Atom Count: 49

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	422.121275205
Formal Charge	0
FSP3	0.14
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	MVLKVZIOZJWJKR-WYMPLXKRSA-N
Lipinski's Rule of Five	1
Molar Refractivity	126.38
Topological Polar Surface Area	72.42
Polarizability	45.1
Ring Count	4
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H19FN4O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00