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1172772-69-8

1172772-69-8 | 4-[(4-METHOXYPHENYL)SULFONYL]-1-OXA-4,8-DIAZASPIRO[4.5]DECANE

CAS No: 1172772-69-8 Catalog No: AG01ARPZ MDL No:MFCD11987112

Product Description

Catalog Number:
AG01ARPZ
Chemical Name:
4-[(4-METHOXYPHENYL)SULFONYL]-1-OXA-4,8-DIAZASPIRO[4.5]DECANE
CAS Number:
1172772-69-8
Molecular Formula:
C14H20N2O4S
Molecular Weight:
312.3846
MDL Number:
MFCD11987112
IUPAC Name:
4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
InChI:
InChI=1S/C14H20N2O4S/c1-19-12-2-4-13(5-3-12)21(17,18)16-10-11-20-14(16)6-8-15-9-7-14/h2-5,15H,6-11H2,1H3
InChI Key:
AAIIKFGBCDYTJD-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)S(=O)(=O)N1CCOC21CCNCC2

Properties

Complexity:
448  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.114g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
312.384g/mol
Monoisotopic Mass:
312.114g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
76.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  

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