2-[3-methoxy-4-(4-nitrobenzoyloxy)phenyl]-1,3-thiazolidine-4-carboxylic acid

2-[3-methoxy-4-(4-nitrobenzoyloxy)phenyl]-1,3-thiazolidine-4-carboxylic acid

Formula: C18H16N2O7S

SMILES: COC1=CC(=CC=C1OC(=O)C1=CC=C(C=C1)[N+]([O-])=O)C1NC(CS1)C(O)=O

IUPAC: 2-[3-methoxy-4-(4-nitrobenzoyloxy)phenyl]-1,3-thiazolidine-4-carboxylic acid

InChI: InChI=1/C18H16N2O7S/c1-26-15-8-11(16-19-13(9-28-16)17(21)22)4-7-14(15)27-18(23)10-2-5-12(6-3-10)20(24)25/h2-8,13,16,19H,9H2,1H3,(H,21,22)

Composition: C (53.46%), H (3.99%), N (6.93%), O (27.69%), S (7.93%)

Molar Mass: 404.39

Atom Count: 44

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	2
Exact Mass	404.067822037
Formal Charge	0
FSP3	0.22
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
InChIKey	OSIXKNMNHWPRQP-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	99.86
Topological Polar Surface Area	128
Polarizability	38.72
Ring Count	3
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C18H16N2O7S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00