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1170608-67-9

1170608-67-9 | 4-[(4-METHYLPHENYL)SULFONYL]-1-OXA-4,8-DIAZASPIRO[4.5]DECANE

CAS No: 1170608-67-9 Catalog No: AG01ARXB MDL No:MFCD11987059

Product Description

Catalog Number:
AG01ARXB
Chemical Name:
4-[(4-METHYLPHENYL)SULFONYL]-1-OXA-4,8-DIAZASPIRO[4.5]DECANE
CAS Number:
1170608-67-9
Molecular Formula:
C14H20N2O3S
Molecular Weight:
296.3852
MDL Number:
MFCD11987059
IUPAC Name:
4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
InChI:
InChI=1S/C14H20N2O3S/c1-12-2-4-13(5-3-12)20(17,18)16-10-11-19-14(16)6-8-15-9-7-14/h2-5,15H,6-11H2,1H3
InChI Key:
ZCXHOAINPWAZFG-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)N1CCOC21CCNCC2

Properties

Complexity:
432  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.119g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
296.385g/mol
Monoisotopic Mass:
296.119g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
67A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  

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