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1289387-27-4 | Carbamic acid, N-[1-[1-(2-thiazolyl)ethyl]-3-piperidinyl]-, 1,1-dimethylethyl ester
CAS No: 1289387-27-4 Catalog No: AG000YMR MDL No:
Product Description
Catalog Number:
AG000YMR
Chemical Name:
Carbamic acid, N-[1-[1-(2-thiazolyl)ethyl]-3-piperidinyl]-, 1,1-dimethylethyl ester
CAS Number:
1289387-27-4
Molecular Formula:
C15H25N3O2S
Molecular Weight:
311.4429
IUPAC Name:
tert-butyl N-[1-[1-(1,3-thiazol-2-yl)ethyl]piperidin-3-yl]carbamate
InChI:
InChI=1S/C15H25N3O2S/c1-11(13-16-7-9-21-13)18-8-5-6-12(10-18)17-14(19)20-15(2,3)4/h7,9,11-12H,5-6,8,10H2,1-4H3,(H,17,19)
InChI Key:
HVCIVELHPPBFAB-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NC1CCCN(C1)C(c1nccs1)C
Properties
Complexity:
359
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:
1
Isotope Atom Count:
0
Molecular Weight:
311.444g/mol
Monoisotopic Mass:
311.167g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
82.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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