4-methoxy-N-({[(2-nitrophenyl)formamido]methanethioyl}amino)benzamide

4-methoxy-N-({[(2-nitrophenyl)formamido]methanethioyl}amino)benzamide

Formula: C16H14N4O5S

SMILES: COC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C1=CC=CC=C1[N+]([O-])=O

IUPAC: 4-methoxy-N-({[(2-nitrophenyl)formamido]methanethioyl}amino)benzamide

InChI: InChI=1S/C16H14N4O5S/c1-25-11-8-6-10(7-9-11)14(21)18-19-16(26)17-15(22)12-4-2-3-5-13(12)20(23)24/h2-9H,1H3,(H,18,21)(H2,17,19,22,26)

Composition: C (51.33%), H (3.77%), N (14.97%), O (21.37%), S (8.56%)

Molar Mass: 374.37

Atom Count: 40

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	374.068490741
Formal Charge	0
FSP3	0.06
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
InChIKey	GDUDCPKSCJCWHS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	97.69
Topological Polar Surface Area	122.6
Polarizability	36.46
Ring Count	2
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C16H14N4O5S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00