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1263284-47-4 | 2,8-Diazaspiro[4.5]decane-8-carboxylic acid, 7-methyl-3-oxo-, phenylmethyl ester, (5R,7S)-rel-
CAS No: 1263284-47-4 Catalog No: AG000SM9 MDL No:
Product Description
Catalog Number:
AG000SM9
Chemical Name:
2,8-Diazaspiro[4.5]decane-8-carboxylic acid, 7-methyl-3-oxo-, phenylmethyl ester, (5R,7S)-rel-
CAS Number:
1263284-47-4
Molecular Formula:
C17H22N2O3
Molecular Weight:
302.3682
IUPAC Name:
benzyl (5R,7S)-1-(3-fluorophenyl)-7-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate
InChI:
InChI=1S/C22H22FN3O4/c1-15-13-22(10-11-25(15)21(29)30-14-16-6-3-2-4-7-16)19(27)24-20(28)26(22)18-9-5-8-17(23)12-18/h2-9,12,15H,10-11,13-14H2,1H3,(H,24,27,28)/t15-,22+/m0/s1
InChI Key:
HFZOFCXKEJGKKV-OYHNWAKOSA-N
SMILES:
O=C1NC[C@]2(C1)CCN([C@H](C2)C)C(=O)OCc1ccccc1
Properties
Complexity:
683
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
411.159g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
411.433g/mol
Monoisotopic Mass:
411.159g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
79A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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