2-{[5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(3,4-dihydroxyphenyl)methylidene]acetohydrazide

2-{[5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(3,4-dihydroxyphenyl)methylidene]acetohydrazide

Formula: C23H27N5O3S

SMILES: CCN1C(SCC(=O)NN=CC2=CC=C(O)C(O)=C2)=NN=C1C1=CC=C(C=C1)C(C)(C)C

IUPAC: 2-{[5-(4-tert-butylphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(3,4-dihydroxyphenyl)methylidene]acetohydrazide

InChI: InChI=1S/C23H27N5O3S/c1-5-28-21(16-7-9-17(10-8-16)23(2,3)4)26-27-22(28)32-14-20(31)25-24-13-15-6-11-18(29)19(30)12-15/h6-13,29-30H,5,14H2,1-4H3,(H,25,31)/b24-13+

Composition: C (60.91%), H (6.00%), N (15.44%), O (10.58%), S (7.07%)

Molar Mass: 453.56

Atom Count: 59

Heavy Atom Count: 32

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	453.183460923
Formal Charge	0
FSP3	0.3
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	3
InChIKey	UIUSKSSVPPKSHT-ZMOGYAJESA-N
Lipinski's Rule of Five	1
Molar Refractivity	139.99
Topological Polar Surface Area	112.63
Polarizability	48.75
Ring Count	3
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C23H27N5O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00