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

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

Formula: C22H18Cl2N4O2S

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

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

InChI: InChI=1S/C22H18Cl2N4O2S/c1-13-7-15(14(2)28(13)18-9-16(23)8-17(24)10-18)11-25-27-21(29)12-31-22-26-19-5-3-4-6-20(19)30-22/h3-11H,12H2,1-2H3,(H,27,29)/b25-11+

Composition: C (55.82%), H (3.83%), Cl (14.98%), N (11.84%), O (6.76%), S (6.77%)

Molar Mass: 473.37

Atom Count: 49

Heavy Atom Count: 31

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	472.0527524
Formal Charge	0
FSP3	0.14
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	ITQPNEGLAONVSG-OPEKNORGSA-N
Lipinski's Rule of Five
Molar Refractivity	135.77
Topological Polar Surface Area	72.42
Polarizability	49.19
Ring Count	4
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H18Cl2N4O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00