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Home > Other Heterocycles > 1384428-57-2
1384428-57-2 | 4-[2-(morpholin-4-yl)ethyl]-1,7lambda6-dithia-4-azaspiro[4.4]nonane-3,7,7-trione
CAS No: 1384428-57-2 Catalog No: AG019YIP MDL No:MFCD22196416
Product Description
Catalog Number:
AG019YIP
Chemical Name:
4-[2-(morpholin-4-yl)ethyl]-1,7lambda6-dithia-4-azaspiro[4.4]nonane-3,7,7-trione
CAS Number:
1384428-57-2
Molecular Formula:
C12H20N2O4S2
Molecular Weight:
320.4282
MDL Number:
MFCD22196416
IUPAC Name:
4-(2-morpholin-4-ylethyl)-7,7-dioxo-1,7λ6-dithia-4-azaspiro[4.4]nonan-3-one
InChI:
InChI=1S/C12H20N2O4S2/c15-11-9-19-12(1-8-20(16,17)10-12)14(11)3-2-13-4-6-18-7-5-13/h1-10H2
InChI Key:
DZMVCRODDYLRKY-UHFFFAOYSA-N
SMILES:
O=C1CSC2(N1CCN1CCOCC1)CCS(=O)(=O)C2
Properties
Complexity:
484
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.086g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
320.422g/mol
Monoisotopic Mass:
320.086g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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