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1799412-35-3 | 1,3,8-Triazaspiro[4.5]decane-8-carboxylic acid, 2-oxo-3-(phenylmethyl)-, 1,1-dimethylethyl ester
CAS No: 1799412-35-3 Catalog No: AG0021GM MDL No:
Product Description
Catalog Number:
AG0021GM
Chemical Name:
1,3,8-Triazaspiro[4.5]decane-8-carboxylic acid, 2-oxo-3-(phenylmethyl)-, 1,1-dimethylethyl ester
CAS Number:
1799412-35-3
Molecular Formula:
C19H27N3O3
Molecular Weight:
345.4360
IUPAC Name:
tert-butyl 3-benzyl-2-oxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate
InChI:
InChI=1S/C19H27N3O3/c1-18(2,3)25-17(24)21-11-9-19(10-12-21)14-22(16(23)20-19)13-15-7-5-4-6-8-15/h4-8H,9-14H2,1-3H3,(H,20,23)
InChI Key:
TYSQHBFCOZQJCJ-UHFFFAOYSA-N
SMILES:
O=C1NC2(CN1Cc1ccccc1)CCN(CC2)C(=O)OC(C)(C)C
Properties
Complexity:
501
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.205g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
345.443g/mol
Monoisotopic Mass:
345.205g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
61.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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