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Home > Other Heterocycles > 478041-47-3
478041-47-3 | 8-[1-(benzenesulfonyl)piperidine-4-carbonyl]-1,4-dioxa-8-azaspiro[4.5]decane
CAS No: 478041-47-3 Catalog No: AG00IOTE MDL No:MFCD02186747
Product Description
Catalog Number:
AG00IOTE
Chemical Name:
8-[1-(benzenesulfonyl)piperidine-4-carbonyl]-1,4-dioxa-8-azaspiro[4.5]decane
CAS Number:
478041-47-3
Molecular Formula:
C19H26N2O5S
Molecular Weight:
394.4851
MDL Number:
MFCD02186747
IUPAC Name:
[1-(benzenesulfonyl)piperidin-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
InChI:
InChI=1S/C19H26N2O5S/c22-18(20-12-8-19(9-13-20)25-14-15-26-19)16-6-10-21(11-7-16)27(23,24)17-4-2-1-3-5-17/h1-5,16H,6-15H2
InChI Key:
XHFVEIRYEWJAQF-UHFFFAOYSA-N
SMILES:
O=C(N1CCC2(CC1)OCCO2)C1CCN(CC1)S(=O)(=O)c1ccccc1
Properties
Complexity:
617
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
394.156g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
394.486g/mol
Monoisotopic Mass:
394.156g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
84.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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