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1289385-56-3 | Carbamic acid, N-[[1-[1-(2-thiazolyl)ethyl]-3-piperidinyl]methyl]-, 1,1-dimethylethyl ester
CAS No: 1289385-56-3 Catalog No: AG000YLO MDL No:
Product Description
Catalog Number:
AG000YLO
Chemical Name:
Carbamic acid, N-[[1-[1-(2-thiazolyl)ethyl]-3-piperidinyl]methyl]-, 1,1-dimethylethyl ester
CAS Number:
1289385-56-3
Molecular Formula:
C16H27N3O2S
Molecular Weight:
325.4695
IUPAC Name:
tert-butyl N-[[1-[1-(1,3-thiazol-2-yl)ethyl]piperidin-3-yl]methyl]carbamate
InChI:
InChI=1S/C16H27N3O2S/c1-12(14-17-7-9-22-14)19-8-5-6-13(11-19)10-18-15(20)21-16(2,3)4/h7,9,12-13H,5-6,8,10-11H2,1-4H3,(H,18,20)
InChI Key:
IAIBPFGIVWSVBH-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCC1CCCN(C1)C(c1nccs1)C
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.182g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
325.471g/mol
Monoisotopic Mass:
325.182g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
82.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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