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

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

Formula: C21H21ClN4O4S3

SMILES: COC1=C(OC)C(OC)=C(C=NNC(=O)CSC2=NN=C(SCC3=CC=C(Cl)C=C3)S2)C=C1

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

InChI: InChI=1S/C21H21ClN4O4S3/c1-28-16-9-6-14(18(29-2)19(16)30-3)10-23-24-17(27)12-32-21-26-25-20(33-21)31-11-13-4-7-15(22)8-5-13/h4-10H,11-12H2,1-3H3,(H,24,27)/b23-10+

Composition: C (48.04%), H (4.03%), Cl (6.75%), N (10.67%), O (12.19%), S (18.32%)

Molar Mass: 525.05

Atom Count: 54

Heavy Atom Count: 33

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	524.0413464
Formal Charge	0
FSP3	0.24
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
InChIKey	LAAVKEQXIKJNBV-AUEPDCJTSA-N
Lipinski's Rule of Five
Molar Refractivity	135.86
Topological Polar Surface Area	94.93
Polarizability	51.41
Ring Count	3
Rotatable Bond Count	11

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H21ClN4O4S3		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00