2-[3-(3,4,5-trimethoxybenzoyloxy)phenyl]-1,3-thiazolidine-4-carboxylic acid

2-[3-(3,4,5-trimethoxybenzoyloxy)phenyl]-1,3-thiazolidine-4-carboxylic acid

Formula: C20H21NO7S

SMILES: COC1=CC(=CC(OC)=C1OC)C(=O)OC1=CC=CC(=C1)C1NC(CS1)C(O)=O

IUPAC: 2-[3-(3,4,5-trimethoxybenzoyloxy)phenyl]-1,3-thiazolidine-4-carboxylic acid

InChI: InChI=1/C20H21NO7S/c1-25-15-8-12(9-16(26-2)17(15)27-3)20(24)28-13-6-4-5-11(7-13)18-21-14(10-29-18)19(22)23/h4-9,14,18,21H,10H2,1-3H3,(H,22,23)

Composition: C (57.27%), H (5.05%), N (3.34%), O (26.70%), S (7.64%)

Molar Mass: 419.45

Atom Count: 50

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	2
Exact Mass	419.103873194
Formal Charge	0
FSP3	0.3
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
InChIKey	QAZBUFQOZYPJNL-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	106.46
Topological Polar Surface Area	103.32
Polarizability	41.85
Ring Count	3
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C20H21NO7S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00