2-[4-(4-bromobenzoyloxy)-3-ethoxyphenyl]-1,3-thiazolidine-4-carboxylic acid

2-[4-(4-bromobenzoyloxy)-3-ethoxyphenyl]-1,3-thiazolidine-4-carboxylic acid

Formula: C19H18BrNO5S

SMILES: CCOC1=CC(=CC=C1OC(=O)C1=CC=C(Br)C=C1)C1NC(CS1)C(O)=O

IUPAC: 2-[4-(4-bromobenzoyloxy)-3-ethoxyphenyl]-1,3-thiazolidine-4-carboxylic acid

InChI: InChI=1/C19H18BrNO5S/c1-2-25-16-9-12(17-21-14(10-27-17)18(22)23)5-8-15(16)26-19(24)11-3-6-13(20)7-4-11/h3-9,14,17,21H,2,10H2,1H3,(H,22,23)

Composition: C (50.45%), H (4.01%), Br (17.67%), N (3.10%), O (17.69%), S (7.09%)

Molar Mass: 452.32

Atom Count: 45

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	2
Exact Mass	451.008907
Formal Charge	0
FSP3	0.26
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	BASDMYFYVQGREX-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	105.91
Topological Polar Surface Area	84.86
Polarizability	41.43
Ring Count	3
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C19H18BrNO5S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00