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Home > Other Heterocycles > 1422139-34-1
1422139-34-1 | 2-(5-methylthiophen-2-yl)-2,7-diazaspiro[4.4]nonan-3-one
CAS No: 1422139-34-1 Catalog No: AG01DGV3 MDL No:
Product Description
Catalog Number:
AG01DGV3
Chemical Name:
2-(5-methylthiophen-2-yl)-2,7-diazaspiro[4.4]nonan-3-one
CAS Number:
1422139-34-1
Molecular Formula:
C12H16N2OS
Molecular Weight:
236.3332
IUPAC Name:
2-(5-methylthiophen-2-yl)-2,7-diazaspiro[4.4]nonan-3-one
InChI:
InChI=1S/C12H16N2OS/c1-9-2-3-11(16-9)14-8-12(6-10(14)15)4-5-13-7-12/h2-3,13H,4-8H2,1H3
InChI Key:
QHHZPWUNRULBOP-UHFFFAOYSA-N
SMILES:
O=C1CC2(CN1c1ccc(s1)C)CNCC2
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.098g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
236.333g/mol
Monoisotopic Mass:
236.098g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
60.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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