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85675-13-4 | 2-Azaspiro[5.5]undec-8-ene, 2-(3-thiazolidinylcarbonyl)-
CAS No: 85675-13-4 Catalog No: AG004Q64 MDL No:
Product Description
Catalog Number:
AG004Q64
Chemical Name:
2-Azaspiro[5.5]undec-8-ene, 2-(3-thiazolidinylcarbonyl)-
CAS Number:
85675-13-4
Molecular Formula:
C14H22N2OS
Molecular Weight:
266.4023
IUPAC Name:
2-azaspiro[5.5]undec-9-en-2-yl(1,3-thiazolidin-3-yl)methanone
InChI:
InChI=1S/C14H22N2OS/c17-13(16-9-10-18-12-16)15-8-4-7-14(11-15)5-2-1-3-6-14/h1-2H,3-12H2
InChI Key:
QEKNPHNCVNUBFT-UHFFFAOYSA-N
SMILES:
O=C(N1CCCC2(C1)CCC=CC2)N1CSCC1
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.145g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.403g/mol
Monoisotopic Mass:
266.145g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
48.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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