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1173073-10-3

1173073-10-3 | 4-(MESITYLSULFONYL)-1-OXA-4,8-DIAZASPIRO[4.5]DECANE

CAS No: 1173073-10-3 Catalog No: AG01ARQO MDL No:MFCD11987113

Product Description

Catalog Number:
AG01ARQO
Chemical Name:
4-(MESITYLSULFONYL)-1-OXA-4,8-DIAZASPIRO[4.5]DECANE
CAS Number:
1173073-10-3
Molecular Formula:
C16H24N2O3S
Molecular Weight:
324.4384
MDL Number:
MFCD11987113
IUPAC Name:
4-(2,4,6-trimethylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
InChI:
InChI=1S/C16H24N2O3S/c1-12-10-13(2)15(14(3)11-12)22(19,20)18-8-9-21-16(18)4-6-17-7-5-16/h10-11,17H,4-9H2,1-3H3
InChI Key:
XCEMVCISFAEQMB-UHFFFAOYSA-N
SMILES:
Cc1cc(C)c(c(c1)C)S(=O)(=O)N1CCOC21CCNCC2

Properties

Complexity:
484  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.151g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
324.439g/mol
Monoisotopic Mass:
324.151g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
67A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  

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