2-[(5E)-5-[(2-chloro-5-nitrophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(3,4-dimethylphenyl)acetamide

2-[(5E)-5-[(2-chloro-5-nitrophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(3,4-dimethylphenyl)acetamide

Formula: C20H16ClN3O5S

SMILES: CC1=CC=C(NC(=O)CN2C(=O)SC(=CC3=CC(=CC=C3Cl)[N+]([O-])=O)C2=O)C=C1C

IUPAC: 2-[(5E)-5-[(2-chloro-5-nitrophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(3,4-dimethylphenyl)acetamide

InChI: InChI=1S/C20H16ClN3O5S/c1-11-3-4-14(7-12(11)2)22-18(25)10-23-19(26)17(30-20(23)27)9-13-8-15(24(28)29)5-6-16(13)21/h3-9H,10H2,1-2H3,(H,22,25)/b17-9+

Composition: C (53.88%), H (3.62%), Cl (7.95%), N (9.42%), O (17.94%), S (7.19%)

Molar Mass: 445.87

Atom Count: 46

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	445.0499195
Formal Charge	0
FSP3	0.15
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	SRFLLEKEDDSMOS-RQZCQDPDSA-N
Lipinski's Rule of Five	1
Molar Refractivity	116.69
Topological Polar Surface Area	109.62
Polarizability	42.96
Ring Count	3
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C20H16ClN3O5S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00