2-[4-(2H-1,3-benzodioxole-5-carbonyloxy)-3-methoxyphenyl]-1,3-thiazolidine-4-carboxylic acid

2-[4-(2H-1,3-benzodioxole-5-carbonyloxy)-3-methoxyphenyl]-1,3-thiazolidine-4-carboxylic acid

Formula: C19H17NO7S

SMILES: COC1=CC(=CC=C1OC(=O)C1=CC=C2OCOC2=C1)C1NC(CS1)C(O)=O

IUPAC: 2-[4-(2H-1,3-benzodioxole-5-carbonyloxy)-3-methoxyphenyl]-1,3-thiazolidine-4-carboxylic acid

InChI: InChI=1/C19H17NO7S/c1-24-15-6-10(17-20-12(8-28-17)18(21)22)2-5-14(15)27-19(23)11-3-4-13-16(7-11)26-9-25-13/h2-7,12,17,20H,8-9H2,1H3,(H,21,22)

Composition: C (56.57%), H (4.25%), N (3.47%), O (27.76%), S (7.95%)

Molar Mass: 403.41

Atom Count: 45

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	2
Exact Mass	403.072573065
Formal Charge	0
FSP3	0.26
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
InChIKey	GMVHVIPCXLCLQP-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	99.3
Topological Polar Surface Area	103.32
Polarizability	39.3
Ring Count	4
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C19H17NO7S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00