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1375303-54-0 | 2,8-Diazaspiro[4.5]decane-8-carboxylic acid, 4-(4-fluorophenyl)-3-oxo-, 1,1-dimethylethyl ester
CAS No: 1375303-54-0 Catalog No: AG0013I8 MDL No:
Product Description
Catalog Number:
AG0013I8
Chemical Name:
2,8-Diazaspiro[4.5]decane-8-carboxylic acid, 4-(4-fluorophenyl)-3-oxo-, 1,1-dimethylethyl ester
CAS Number:
1375303-54-0
Molecular Formula:
C19H25FN2O3
Molecular Weight:
348.4118
IUPAC Name:
tert-butyl 4-(4-fluorophenyl)-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate
InChI:
InChI=1S/C19H25FN2O3/c1-18(2,3)25-17(24)22-10-8-19(9-11-22)12-21-16(23)15(19)13-4-6-14(20)7-5-13/h4-7,15H,8-12H2,1-3H3,(H,21,23)
InChI Key:
UULRACRSMAPWSP-UHFFFAOYSA-N
SMILES:
O=C1NCC2(C1c1ccc(cc1)F)CCN(CC2)C(=O)OC(C)(C)C
Properties
Complexity:
515
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.185g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
348.418g/mol
Monoisotopic Mass:
348.185g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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