N-(3-{[(1-benzofuran-2-ylformamido)methanethioyl]amino}phenyl)furan-2-carboxamide

N-(3-{[(1-benzofuran-2-ylformamido)methanethioyl]amino}phenyl)furan-2-carboxamide

Formula: C21H15N3O4S

SMILES: O=C(NC(=S)NC1=CC=CC(NC(=O)C2=CC=CO2)=C1)C1=CC2=CC=CC=C2O1

IUPAC: N-[3-({[(1-benzofuran-2-yl)formamido]methanethioyl}amino)phenyl]furan-2-carboxamide

InChI: InChI=1S/C21H15N3O4S/c25-19(17-9-4-10-27-17)22-14-6-3-7-15(12-14)23-21(29)24-20(26)18-11-13-5-1-2-8-16(13)28-18/h1-12H,(H,22,25)(H2,23,24,26,29)

Composition: C (62.21%), H (3.73%), N (10.36%), O (15.78%), S (7.91%)

Molar Mass: 405.43

Atom Count: 44

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	405.078327149
Formal Charge	0
FSP3	0
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	3
InChIKey	WNFBVLJBBCZNQP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	114.47
Topological Polar Surface Area	96.51
Polarizability	43.03
Ring Count	4
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H15N3O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00