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1269430-24-1 | 1-Piperazinecarboxylic acid, 4-[1-(2-thiazolyl)ethyl]-, 1,1-dimethylethyl ester
CAS No: 1269430-24-1 Catalog No: AG000WFD MDL No:
Product Description
Catalog Number:
AG000WFD
Chemical Name:
1-Piperazinecarboxylic acid, 4-[1-(2-thiazolyl)ethyl]-, 1,1-dimethylethyl ester
CAS Number:
1269430-24-1
Molecular Formula:
C14H23N3O2S
Molecular Weight:
297.4163
IUPAC Name:
tert-butyl 4-[1-(1,3-thiazol-2-yl)ethyl]piperazine-1-carboxylate
InChI:
InChI=1S/C14H23N3O2S/c1-11(12-15-5-10-20-12)16-6-8-17(9-7-16)13(18)19-14(2,3)4/h5,10-11H,6-9H2,1-4H3
InChI Key:
DEIUQJWVVWGZMO-UHFFFAOYSA-N
SMILES:
CC(c1nccs1)N1CCN(CC1)C(=O)OC(C)(C)C
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.151g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.417g/mol
Monoisotopic Mass:
297.151g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
73.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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