3-[N'-(3-chloro-1-benzothiophene-2-carbonyl)hydrazinecarbonyl]-N-(2,5-dimethylphenyl)propanamide

3-[N'-(3-chloro-1-benzothiophene-2-carbonyl)hydrazinecarbonyl]-N-(2,5-dimethylphenyl)propanamide

Formula: C21H20ClN3O3S

SMILES: CC1=CC=C(C)C(NC(=O)CCC(=O)NNC(=O)C2=C(Cl)C3=CC=CC=C3S2)=C1

IUPAC: 3-[N'-(3-chloro-1-benzothiophene-2-carbonyl)hydrazinecarbonyl]-N-(2,5-dimethylphenyl)propanamide

InChI: InChI=1S/C21H20ClN3O3S/c1-12-7-8-13(2)15(11-12)23-17(26)9-10-18(27)24-25-21(28)20-19(22)14-5-3-4-6-16(14)29-20/h3-8,11H,9-10H2,1-2H3,(H,23,26)(H,24,27)(H,25,28)

Composition: C (58.67%), H (4.69%), Cl (8.25%), N (9.77%), O (11.16%), S (7.46%)

Molar Mass: 429.92

Atom Count: 49

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	429.0913904
Formal Charge	0
FSP3	0.19
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
InChIKey	YNDVOPDAKRRMSE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	115.18
Topological Polar Surface Area	87.3
Polarizability	44.17
Ring Count	3
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H20ClN3O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00