2-{[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1E)-1-(4-methoxyphenyl)ethylidene]acetohydrazide

2-{[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1E)-1-(4-methoxyphenyl)ethylidene]acetohydrazide

Formula: C29H31N5O2S

SMILES: COC1=CC=C(C=C1)C(C)=NNC(=O)CSC1=NN=C(N1C1=CC=CC=C1)C1=CC=C(C=C1)C(C)(C)C

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

InChI: InChI=1S/C29H31N5O2S/c1-20(21-13-17-25(36-5)18-14-21)30-31-26(35)19-37-28-33-32-27(34(28)24-9-7-6-8-10-24)22-11-15-23(16-12-22)29(2,3)4/h6-18H,19H2,1-5H3,(H,31,35)/b30-20+

Composition: C (67.81%), H (6.08%), N (13.63%), O (6.23%), S (6.24%)

Molar Mass: 513.66

Atom Count: 68

Heavy Atom Count: 37

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	513.219846432
Formal Charge	0
FSP3	0.24
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	HOBPKWSWQZYDMF-TWKHWXDSSA-N
Lipinski's Rule of Five
Molar Refractivity	171.66
Topological Polar Surface Area	81.4
Polarizability	58.58
Ring Count	4
Rotatable Bond Count	9

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C29H31N5O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00