2-(4-bromophenyl)-3-(tert-butoxycarbonyl)-1,3-thiazolidine-4-carboxylic acid

2-(4-bromophenyl)-3-(tert-butoxycarbonyl)-1,3-thiazolidine-4-carboxylic acid

CAS: 1008262-90-5

Formula: C15H18BrNO4S

SMILES: CC(C)(C)OC(=O)N1C(CSC1C1=CC=C(Br)C=C1)C(O)=O

IUPAC: 2-(4-bromophenyl)-3-[(tert-butoxy)carbonyl]-1,3-thiazolidine-4-carboxylic acid

InChI: InChI=1/C15H18BrNO4S/c1-15(2,3)21-14(20)17-11(13(18)19)8-22-12(17)9-4-6-10(16)7-5-9/h4-7,11-12H,8H2,1-3H3,(H,18,19)

Composition: C (46.40%), H (4.67%), Br (20.58%), N (3.61%), O (16.48%), S (8.26%)

Molar Mass: 388.28

Atom Count: 40

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	2
Exact Mass	387.013992
Formal Charge	0
FSP3	0.47
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	QBUDEWVBCXLTHP-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	87.89
Topological Polar Surface Area	66.84
Polarizability	34.56
Ring Count	2
Rotatable Bond Count	4

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96%	<2 Days	1008262-90-5		$1,722.70-$3,312.00$1,722.70$3,312.00$11,362.00