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1289387-83-2 | 1-Piperazinecarboxylic acid, 3-methyl-4-[1-(2-thiazolyl)ethyl]-, 1,1-dimethylethyl ester
CAS No: 1289387-83-2 Catalog No: AG000YNB MDL No:
Product Description
Catalog Number:
AG000YNB
Chemical Name:
1-Piperazinecarboxylic acid, 3-methyl-4-[1-(2-thiazolyl)ethyl]-, 1,1-dimethylethyl ester
CAS Number:
1289387-83-2
Molecular Formula:
C15H25N3O2S
Molecular Weight:
311.4429
IUPAC Name:
tert-butyl 3-methyl-4-[1-(1,3-thiazol-2-yl)ethyl]piperazine-1-carboxylate
InChI:
InChI=1S/C15H25N3O2S/c1-11-10-17(14(19)20-15(3,4)5)7-8-18(11)12(2)13-16-6-9-21-13/h6,9,11-12H,7-8,10H2,1-5H3
InChI Key:
SEXLBIWUBJNGCC-UHFFFAOYSA-N
SMILES:
CC1CN(CCN1C(c1nccs1)C)C(=O)OC(C)(C)C
Properties
Complexity:
372
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.167g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
311.444g/mol
Monoisotopic Mass:
311.167g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
73.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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