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Home > Fluorides > 1401090-53-6
1401090-53-6 | Carbamic acid, N-[1-[2-(4-fluorophenyl)-4-thiazolyl]-1-methylethyl]-, (3S)-1-azabicyclo[2.2.2]oct-3-yl ester
CAS No: 1401090-53-6 Catalog No: AG001C15 MDL No:
Product Description
Catalog Number:
AG001C15
Chemical Name:
Carbamic acid, N-[1-[2-(4-fluorophenyl)-4-thiazolyl]-1-methylethyl]-, (3S)-1-azabicyclo[2.2.2]oct-3-yl ester
CAS Number:
1401090-53-6
Molecular Formula:
C20H24FN3O2S
Molecular Weight:
389.4869
IUPAC Name:
[(3S)-1-azabicyclo[2.2.2]octan-3-yl] N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]propan-2-yl]carbamate
InChI:
InChI=1S/C20H24FN3O2S/c1-20(2,17-12-27-18(22-17)14-3-5-15(21)6-4-14)23-19(25)26-16-11-24-9-7-13(16)8-10-24/h3-6,12-13,16H,7-11H2,1-2H3,(H,23,25)/t16-/m1/s1
InChI Key:
YFHRCLAKZBDRHN-MRXNPFEDSA-N
SMILES:
O=C(NC(c1csc(n1)c1ccc(cc1)F)(C)C)O[C@@H]1CN2CCC1CC2
UNII:
BLP1XA3FZA
Properties
Complexity:
533
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
389.157g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
389.489g/mol
Monoisotopic Mass:
389.157g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
82.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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