2-{[5-(4-chlorophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(2,4,5-trimethoxyphenyl)methylidene]acetohydrazide

2-{[5-(4-chlorophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(2,4,5-trimethoxyphenyl)methylidene]acetohydrazide

Formula: C26H30ClN5O4S

SMILES: COC1=CC(OC)=C(OC)C=C1C=NNC(=O)CSC1=NN=C(N1C1CCCCC1)C1=CC=C(Cl)C=C1

IUPAC: 2-{[5-(4-chlorophenyl)-4-cyclohexyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(2,4,5-trimethoxyphenyl)methylidene]acetohydrazide

InChI: InChI=1S/C26H30ClN5O4S/c1-34-21-14-23(36-3)22(35-2)13-18(21)15-28-29-24(33)16-37-26-31-30-25(17-9-11-19(27)12-10-17)32(26)20-7-5-4-6-8-20/h9-15,20H,4-8,16H2,1-3H3,(H,29,33)/b28-15+

Composition: C (57.40%), H (5.56%), Cl (6.52%), N (12.87%), O (11.76%), S (5.89%)

Molar Mass: 544.07

Atom Count: 67

Heavy Atom Count: 37

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	543.1707033
Formal Charge	0
FSP3	0.38
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
InChIKey	GOKQEPXAOWYZSZ-RWPZCVJISA-N
Lipinski's Rule of Five
Molar Refractivity	157.82
Topological Polar Surface Area	99.86
Polarizability	56.34
Ring Count	4
Rotatable Bond Count	10

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C26H30ClN5O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00