2-[4-(tert-butoxycarbonyl)piperazin-1-yl]-1,3-benzothiazole-5-carboxylic acid

2-[4-(tert-butoxycarbonyl)piperazin-1-yl]-1,3-benzothiazole-5-carboxylic acid

Formula: C17H21N3O4S

SMILES: CC(C)(C)OC(=O)N1CCN(CC1)C1=NC2=CC(=CC=C2S1)C(O)=O

IUPAC: 2-{4-[(tert-butoxy)carbonyl]piperazin-1-yl}-1,3-benzothiazole-5-carboxylic acid

InChI: InChI=1S/C17H21N3O4S/c1-17(2,3)24-16(23)20-8-6-19(7-9-20)15-18-12-10-11(14(21)22)4-5-13(12)25-15/h4-5,10H,6-9H2,1-3H3,(H,21,22)

Composition: C (56.18%), H (5.82%), N (11.56%), O (17.61%), S (8.82%)

Molar Mass: 363.43

Atom Count: 46

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	363.125277342
Formal Charge	0
FSP3	0.47
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	KWQQGSMPFWRKKO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	94.04
Topological Polar Surface Area	82.97
Polarizability	36.87
Ring Count	3
Rotatable Bond Count	4

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C17H21N3O4S		Quote Only