4-{[(2E)-5-{[(4-methylphenyl)carbamoyl]methyl}-4-oxo-1,3-thiazolidin-2-ylidene]amino}benzoic acid

4-{[(2E)-5-{[(4-methylphenyl)carbamoyl]methyl}-4-oxo-1,3-thiazolidin-2-ylidene]amino}benzoic acid

Formula: C19H17N3O4S

SMILES: CC1=CC=C(NC(=O)CC2SC(NC2=O)=NC2=CC=C(C=C2)C(O)=O)C=C1

IUPAC: 4-{[(2E)-5-{[(4-methylphenyl)carbamoyl]methyl}-4-oxo-1,3-thiazolidin-2-ylidene]amino}benzoic acid

InChI: InChI=1/C19H17N3O4S/c1-11-2-6-13(7-3-11)20-16(23)10-15-17(24)22-19(27-15)21-14-8-4-12(5-9-14)18(25)26/h2-9,15H,10H2,1H3,(H,20,23)(H,25,26)(H,21,22,24)

Composition: C (59.52%), H (4.47%), N (10.96%), O (16.69%), S (8.36%)

Molar Mass: 383.42

Atom Count: 44

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	383.093977213
Formal Charge	0
FSP3	0.16
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
InChIKey	CYOWJAQYALTZTK-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	105.39
Topological Polar Surface Area	107.86
Polarizability	38.73
Ring Count	3
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C19H17N3O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00