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

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

Formula: C27H27N5O4S

SMILES: COC1=CC(C=NNC(=O)CSC2=NN=C(N2C2=CC=C(C)C=C2)C2=CC=CC=C2)=CC(OC)=C1OC

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

InChI: InChI=1S/C27H27N5O4S/c1-18-10-12-21(13-11-18)32-26(20-8-6-5-7-9-20)30-31-27(32)37-17-24(33)29-28-16-19-14-22(34-2)25(36-4)23(15-19)35-3/h5-16H,17H2,1-4H3,(H,29,33)/b28-16+

Composition: C (62.65%), H (5.26%), N (13.53%), O (12.36%), S (6.19%)

Molar Mass: 517.6

Atom Count: 64

Heavy Atom Count: 37

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	517.178375543
Formal Charge	0
FSP3	0.19
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
InChIKey	KLIAGTDQFASWIN-LQKURTRISA-N
Lipinski's Rule of Five
Molar Refractivity	167.14
Topological Polar Surface Area	99.86
Polarizability	56.23
Ring Count	4
Rotatable Bond Count	10

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C27H27N5O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00