N-{3-[(1E)-1-{[(3-chloro-6-methyl-1-benzothiophen-2-yl)formamido]imino}ethyl]phenyl}furan-2-carboxamide

N-{3-[(1E)-1-{[(3-chloro-6-methyl-1-benzothiophen-2-yl)formamido]imino}ethyl]phenyl}furan-2-carboxamide

Formula: C23H18ClN3O3S

SMILES: CC(=N/NC(=O)C1=C(Cl)C2=CC=C(C)C=C2S1)C1=CC=CC(NC(=O)C2=CC=CO2)=C1

IUPAC: N-{3-[(1E)-1-{[(3-chloro-6-methyl-1-benzothiophen-2-yl)formamido]imino}ethyl]phenyl}furan-2-carboxamide

InChI: InChI=1S/C23H18ClN3O3S/c1-13-8-9-17-19(11-13)31-21(20(17)24)23(29)27-26-14(2)15-5-3-6-16(12-15)25-22(28)18-7-4-10-30-18/h3-12H,1-2H3,(H,25,28)(H,27,29)/b26-14+

Composition: C (61.13%), H (4.01%), Cl (7.84%), N (9.30%), O (10.62%), S (7.09%)

Molar Mass: 451.93

Atom Count: 49

Heavy Atom Count: 31

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	451.0757403
Formal Charge	0
FSP3	0.09
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	WSWMKKYIFKUGSC-VULFUBBASA-N
Lipinski's Rule of Five
Molar Refractivity	122.95
Topological Polar Surface Area	83.7
Polarizability	46.5
Ring Count	4
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C23H18ClN3O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00