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Home > Other Heterocycles > 861209-89-4
861209-89-4 | N-(4-{1-oxa-4-azaspiro[4.5]decane-4-sulfonyl}phenyl)acetamide
CAS No: 861209-89-4 Catalog No: AG00ISEL MDL No:MFCD03618016
Product Description
Catalog Number:
AG00ISEL
Chemical Name:
N-(4-{1-oxa-4-azaspiro[4.5]decane-4-sulfonyl}phenyl)acetamide
CAS Number:
861209-89-4
Molecular Formula:
C16H22N2O4S
Molecular Weight:
338.4219
MDL Number:
MFCD03618016
IUPAC Name:
N-[4-(1-oxa-4-azaspiro[4.5]decan-4-ylsulfonyl)phenyl]acetamide
InChI:
InChI=1S/C16H22N2O4S/c1-13(19)17-14-5-7-15(8-6-14)23(20,21)18-11-12-22-16(18)9-3-2-4-10-16/h5-8H,2-4,9-12H2,1H3,(H,17,19)
InChI Key:
IWRFZHIINZCPPN-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCOC21CCCCC2
Properties
Complexity:
529
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.13g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
338.422g/mol
Monoisotopic Mass:
338.13g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
84.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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