2-chloro-N-[3-({[(4-ethoxy-3-nitrophenyl)formamido]methanethioyl}amino)phenyl]benzamide

2-chloro-N-[3-({[(4-ethoxy-3-nitrophenyl)formamido]methanethioyl}amino)phenyl]benzamide

Formula: C23H19ClN4O5S

SMILES: CCOC1=CC=C(C=C1[N+]([O-])=O)C(=O)NC(=S)NC1=CC=CC(NC(=O)C2=CC=CC=C2Cl)=C1

IUPAC: 2-chloro-N-[3-({[(4-ethoxy-3-nitrophenyl)formamido]methanethioyl}amino)phenyl]benzamide

InChI: InChI=1S/C23H19ClN4O5S/c1-2-33-20-11-10-14(12-19(20)28(31)32)21(29)27-23(34)26-16-7-5-6-15(13-16)25-22(30)17-8-3-4-9-18(17)24/h3-13H,2H2,1H3,(H,25,30)(H2,26,27,29,34)

Composition: C (55.37%), H (3.84%), Cl (7.11%), N (11.23%), O (16.03%), S (6.43%)

Molar Mass: 498.94

Atom Count: 53

Heavy Atom Count: 34

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	498.0764686
Formal Charge	0
FSP3	0.09
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
InChIKey	AKNVIRPYOCBGEU-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	135.7
Topological Polar Surface Area	122.6
Polarizability	49.93
Ring Count	3
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C23H19ClN4O5S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00