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Home > Bromides > 1289050-83-4
1289050-83-4 | Carbamic acid, N-[1-(4-bromo-2-thiazolyl)-4-piperidinyl]-, 1,1-dimethylethyl ester
CAS No: 1289050-83-4 Catalog No: AG000YHT MDL No:MFCD26954585
Product Description
Catalog Number:
AG000YHT
Chemical Name:
Carbamic acid, N-[1-(4-bromo-2-thiazolyl)-4-piperidinyl]-, 1,1-dimethylethyl ester
CAS Number:
1289050-83-4
Molecular Formula:
C13H20BrN3O2S
Molecular Weight:
362.2858
MDL Number:
MFCD26954585
IUPAC Name:
tert-butyl N-[1-(4-bromo-1,3-thiazol-2-yl)piperidin-4-yl]carbamate
InChI:
InChI=1S/C13H20BrN3O2S/c1-13(2,3)19-12(18)15-9-4-6-17(7-5-9)11-16-10(14)8-20-11/h8-9H,4-7H2,1-3H3,(H,15,18)
InChI Key:
SCLDZCMUOZMMLR-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NC1CCN(CC1)c1scc(n1)Br
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
361.046g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
362.286g/mol
Monoisotopic Mass:
361.046g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
82.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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