N'-[(E)-[1-(3-chloro-4-methylphenyl)pyrrol-2-yl]methylidene]-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetohydrazide

N'-[(E)-[1-(3-chloro-4-methylphenyl)pyrrol-2-yl]methylidene]-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetohydrazide

Formula: C20H20ClN5OS

SMILES: CC1=CC(C)=NC(SCC(=O)NN=CC2=CC=CN2C2=CC=C(C)C(Cl)=C2)=N1

IUPAC: N'-[(E)-[1-(3-chloro-4-methylphenyl)-1H-pyrrol-2-yl]methylidene]-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetohydrazide

InChI: InChI=1S/C20H20ClN5OS/c1-13-6-7-16(10-18(13)21)26-8-4-5-17(26)11-22-25-19(27)12-28-20-23-14(2)9-15(3)24-20/h4-11H,12H2,1-3H3,(H,25,27)/b22-11+

Composition: C (58.03%), H (4.87%), Cl (8.56%), N (16.92%), O (3.87%), S (7.75%)

Molar Mass: 413.92

Atom Count: 48

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	413.1077092
Formal Charge	0
FSP3	0.2
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	QPGQUTDWGCWKCD-SSDVNMTOSA-N
Lipinski's Rule of Five	1
Molar Refractivity	125.24
Topological Polar Surface Area	72.17
Polarizability	43.79
Ring Count	3
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C20H20ClN5OS		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00